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DR ANTHONY MELVIN CRASTO, WORLDDRUGTRACKER

(1S)-(-)-beta-Pinene

 Uncategorized  Comments Off on (1S)-(-)-beta-Pinene
Jun 012015
 

his

(1S)-(1)-beta-Pinene Structure

(1S)-(1)-beta-Pinene, (1S)-(-)-beta-Pinene

 

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image of (1s)-(-)-b-pinene.

 

image of (1s)-(-)-b-pinene

 

 

13C NMR

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image of (1s)-(-)-b-pinene.

 

APT

image of (1s)-(-)-b-pinene.

DEPT

image of (1s)-(-)-b-pinene.

COSY

image of (1s)-(-)-b-pinene.

HETCOR

image of (1s)-(-)-b-pinene

IR

 

MASS

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RAMAN

 

 

CAS No. 18172-67-3
Chemical Name: (1S)-(1)-beta-Pinene
Synonyms: β-Pinen;FEMA 2903;PINENE BETA;(1S)-(-)-B-PINENE;LAEVO-BETA-PINENE;(1s)-(-)-á-pinene;ALPHA,BETA-PINENE;(1S)-(-)-SS-PINENE;PINENE, (1S)-(-)-B-;(1s)-(1)-beta-pinene
CBNumber: CB8270232
Molecular Formula: C10H16
Formula Weight: 136.23
MOL File: 18172-67-3.mol
(1S)-(1)-beta-Pinene Property
mp : −61 °C(lit.)
bp : 165-167 °C(lit.)
alpha : -18.5 º (c=neat 25 ºC)
density : 0.866 g/mL at 25 °C
vapor density : 4.7 (vs air)
vapor pressure : ~2 mm Hg ( 20 °C)
FEMA : 2903
refractive index : n20/D 1.478
Fp : 91 °F
storage temp. : 2-8°C
Water Solubility : insoluble
Merck : 14,7446
BRN : 2038282
CAS DataBase Reference: 18172-67-3(CAS DataBase Reference)
NIST Chemistry Reference: Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)-(18172-67-3)
EPA Substance Registry System: Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S,5S)-(18172-67-3)
Safety
Hazard Codes : Xn,N,Xi
Risk Statements : 10-20/21/22-36/37/38-43-51-65-51/53
Safety Statements : 16-26-36/37-46-61-62
RIDADR : UN 2319 3/PG 3
WGK Germany : 3
RTECS : DT5077000
HazardClass : 3
PackingGroup : III
HS Code : 29021910

take a tour

Amalner,  Jalgaon, Maharashtra, India

Amalner – Wikipedia, the free encyclopedia

en.wikipedia.org/wiki/Amalner

Amalner, India is a city and a municipal council in Jalgaon district in the state of Maharashtra, India, situated on the bank of the Bori River. Amalner is the …

History – ‎Geography – ‎Demographics – ‎Education

Map of amalner maharashtra

 

 

10000 devout Hindus were present for the Hindu Dharmajagruti Sabha at Amalner, Maharashtra

 

end of amalner…………

 

Daulatabad Fort Market

India / Maharashtra / Aurangabad /

Daulatabad, Maharashtra – Wikipedia, the free encyclopedia

en.wikipedia.org/wiki/Daulatabad,_Maharashtra

Daulatabad also known as Devagiri is a town which includes the Devagiri-Daulatabad fort It carries the distinction of remaining undefeated in battle.

Fort of Daulatabad – ‎The City – ‎Monuments – ‎Transport
 Marketplace
 Map of daulatabad

Market place and Hotel/Dhaba
Nearby cities: Aurangabad, New Aurangabad, CIDCO. , Gangapur
Coordinates:   19°56’36″N   75°13’17″E
 

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Integration in NMR

 Uncategorized  Comments Off on Integration in NMR
Jul 232014
 

 

Place your arrow on above structure of Ethyl acetate………………It will flash

see label A,B,C

Integration in NMR

The intensity of the signal is proportional to the number of hydrogens that make the signal. Sometimes, NMR machines display signal intensity as an automatic display above the regular spectrum. (The exact number of hydrogens giving rise to each signal is sometimes also explicitly written above each peak, making our job a lot easier.) The intensity of the signal allows us to conclude that the more hydrogens there are in the same chemical environment, the more intense the signal will be.

Introduction

We can get the following information from a 1H Nuclear Magnetic Resonance (NMR) structure:

  1. The number of signals gives the number of non-equivalent hydrogens
  2. Chemical shifts show differences in the hydrogens’ chemical environments
  3. Splitting presents the number of neighboring hydrogens (N+1 rule)
  4. Integration gives the relative number of hydrogens present at each signal

The integrated intensity of a signal in a 1H NMR spectrum (does not apply to 13C NMR) gives a ratio for the number of hydrogens that give rise to the signal, thereby helping calculate the total number of hydrogens present in a sample.NMR machines can be used to measure signal intensity, a plot of which is sometimes automatically displayed above the regular spectrum. To show these integrations, a recorder pen marks a vertical line with a length that is proportional to the integrated area under a signal (sometimes referred to as a peak)– a value that is proportional to the number of hydrogens that are accountable for the signal. The pen then moves horizontally until another signal is reached, at which point, another vertical marking is made. We can manually measure the lengths by which the horizontal line is displaced at each peak to attain a ratio of hydrogens from the various signals. We can use this technique to figure out the hydrogen ratio when the number of hydrogens responsible for each signal is not written directly above the peak (look in the links section for an animation on how to manually find the ratio of hydrogens as described here).

 

 

 

 

 

 

Now that we’ve seen how the signal intensity is directly proportionate to the number of hydrogens that give rise to that signal, it makes sense to conclude that the more hydrogens of one kind there are in a molecule (equivalent hydrogens, so in the same chemical environment), the more intense the corresponding NMR signal will be. Here’s above  a model that may help clear up some of the uncertainties. 

Problems

1.) True or False? The number of hydrogens determines the intensity of a signal.

 

ans…………False. The relative number of hydrogens determines the intensity of a signal. The signal given by the three hydrogens in CH3CH2CHCl2 will not have the same intensity as the three hydrogens in ClCH2OCH3.

2.) Give the number of signals, the chemical shift value for each signal, and the number of integrating hydrogens for   CH3OCH2CH2OCH3

answer There are 2 signals. One is at 3.3 ppm (6 hydrogens); the other at 3.5 ppm (4 hydrogens).

3

 

 

 

4.) scan0002.jpganswer is a and d

 scan0004.jpg

answer is c

Answers

  1. False. The relative number of hydrogens determines the intensity of a signal. The signal given by the three hydrogens in CH3CH2CHCl2 will not have the same intensity as the three hydrogens in ClCH2OCH3.
  2. There are 2 signals. One is at 3.3 ppm (6 hydrogens); the other at 3.5 ppm (4 hydrogens).
  3. a and d
  4. c

Number of Different Hydrogens

 

Ethyl acetate contains 8 hydrogens and some of them are different from each other. 

For example, those labeled A are attached to a carbon bonded to a carbonyl group and are different from the hydrogens labeled which are bonded to a carbon attached to an oxygen atom.

 

You can check whether certain hydrogens are the same or equivalent by replacing each hydrogen with some group X and seeing if you generate the same compound. You should convince yourself that replacing each hydrogen labeled A by X gives you identical compounds which are all equivalent by a C-C bond rotation. If this is difficult to “see” look at this molecular model of ethyl acetate to see if you can convince yourself that all the hydrogens labeled A are the same.

Integration

The area under the NMR resonance is proportional to the number of hydrogens which that resonance represents. In this way, by measuring or integrating the different NMR resonances, information regarding the relative numbers of chemically distinct hydrogens can be found. Experimentally, the integrals will appear as a line over the NMR spectrum.Integration only gives information on the relative number of different hydrogens, not the absolute number. 

 

 


 

 Review Questions

For ethyl acetate,
What ratio would you expect to see for the integrals for the hydrogens labeled A:B:C?

3-2-3
For ethyl ether,
What ratio would you expect to see for the integrals for the hydrogens labeled A:B?3-2
For t-butyl acetate,
What ratio would you expect to see for the integrals for the hydrogens labeled A:B:C?

6-2-3

ratio

2 3 3

or

4 6 6

Outside Links

References

  1. Schore, Neil E. and Vollhardt, K. Peter C. Organic Chemistry: Structure and Function. New York: Bleyer, Brennan, 2007. (405-407)
  2. UC Davis 118A Supplementary Booklet for the Laboratory/Discussion (Fall quarter 2008)_ Page 39

 

 

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