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Topic: Finding unknown organic molecule from spectra  (Read 4825 times)

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Offline samta

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Finding unknown organic molecule from spectra
« on: October 08, 2012, 01:09:06 PM »
I am having some trouble with finding the unknown organic molecule that belong to these 3 spectra's, so i have some questions:

1. Are my assumptions below correct?
2. What information are my assumptions missing?
3. Where can I find a list of what each spike means for NMR and MS spectra?
4. What is the correct answer?
5. How do I know there are no other correct answers than the one I find?

My assumptions so far:
IR spectra:
C-O bond, C-H bond, O-H bond
NMR spectra:
The spike at 1 could be a methyl group?
MS spectra:
The total weight of the molecule is 60u.
The spike at 29 could be C2H5
The spike at 31 could be CH2OH
The spike at 59 could be C2H5O

All help and hints are appreciated!

Offline discodermolide

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Re: Finding unknown organic molecule from spectra
« Reply #1 on: October 08, 2012, 01:13:30 PM »
For the NMR spectra have you not got an integrated example? This is directly related to the number of protons responsible for the various signals.
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Offline samta

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Re: Finding unknown organic molecule from spectra
« Reply #2 on: October 08, 2012, 01:27:38 PM »
I'm sorry, but you completely lost me.
I have no more information than those 3 spectra's..

Offline discodermolide

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Re: Finding unknown organic molecule from spectra
« Reply #3 on: October 08, 2012, 01:50:12 PM »
Look up NMR integration on Google.
Anyway, the compound looks like propan-1-ol to me.
« Last Edit: October 08, 2012, 02:02:31 PM by discodermolide »
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Offline curiouscat

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Re: Finding unknown organic molecule from spectra
« Reply #4 on: October 08, 2012, 01:59:21 PM »
Anyway, the compound looked like propan-1-ol to me.

As a spectating non-chemist what you just did looked like magic.  :)

I'm impressed!

Offline samta

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Re: Finding unknown organic molecule from spectra
« Reply #5 on: October 08, 2012, 03:01:30 PM »
Look up NMR integration on Google.
Anyway, the compound looks like propan-1-ol to me.

Thanks alot! Googled propan-1-ol and found the same spectres, so its definitely correct answer!

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