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Author Topic: predicting a molecule with nmr  (Read 492 times)

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girl101

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predicting a molecule with nmr
« on: November 04, 2016, 02:44:17 AM »

Compound A (C12H11NO2)
IR   :   2225, 1740, 1645, 1600 and 1505 cm-1  ???
2.05δ (3H, dd, J = 7.10, 1.80 Hz)
3.65δ (2H, s)
6.10δ (1H, dq, J = 15.50, 1.80 Hz)
6.50δ(2H, d, J = 7.80 Hz)
7.40δ (2H, d, J = 7.80 Hz)
7.65δ (1H, dq, J = 15.50, 7.10 Hz

also i have to get 2 isomers that will have the same ir spectrum . but ir cant distinguish isomers right?

SO I PREDICTED MY MOLECULE TO HAVE A NITRILE GROUP  AND 1 BENZENE RING WHEN I DREW IT OUT I AM NOT GETTING A 2 H SINGLET . can you help me predict this molecule please. im guessing the 2 h singlet will be with a nh2 but the molecule has a double bond equivalence of 8
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Dan

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Re: predicting a molecule with nmr
« Reply #1 on: November 04, 2016, 08:28:11 AM »


SO I PREDICTED MY MOLECULE TO HAVE A NITRILE GROUP  AND 1 BENZENE RING WHEN I DREW IT OUT I AM NOT GETTING A 2 H SINGLET . can you help me predict this molecule please. im guessing the 2 h singlet will be with a nh2 but the molecule has a double bond equivalence of 8

Can you show the structures you have considered so far?

How can you have NH2 and C≡N?

Other than the nitrile, what other functional groups does the IR point to?
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girl101

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Re: predicting a molecule with nmr
« Reply #2 on: November 06, 2016, 12:57:35 PM »

no i know you cant have nh2 and cn im saying with the nh2 you can get the 2h singlet. Ir points to an alkyne group nothing else
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Dan

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Re: predicting a molecule with nmr
« Reply #3 on: November 06, 2016, 08:32:22 PM »

Please take care with your post formatting - e.g NH2, not nh2.

no i know you cant have nh2 and cn im saying with the nh2 you can get the 2h singlet.

Ok, but is CH2 not an option?

Quote
Ir points to an alkyne group nothing else

Nothing else? You already mentioned nitrile as a possibility... 1740 cm-1 is also useful diagnostic, any ideas on what that may indicate?
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