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Topic: Strucutre Proposal  (Read 4097 times)

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Offline demo2301

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Strucutre Proposal
« on: April 14, 2015, 07:39:10 PM »
I am having trouble with this and need help. Given the IR, NMR, and mass spec, what would you propose is the structure? All are attached.
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Offline Borek

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Re: Strucutre Proposal
« Reply #1 on: April 15, 2015, 03:00:16 AM »
Please read the forum rules. You have to show your attempts at solving the question to receive help. This is a forum policy.
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Offline mjc123

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Re: Strucutre Proposal
« Reply #2 on: April 15, 2015, 04:35:28 AM »
Haven't you got any IR bands below 1000 cm-1? They can be useful.
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Offline tomek

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Re: Strucutre Proposal
« Reply #3 on: April 16, 2015, 03:08:35 AM »
The compound you're looking for is rather simple. You should consider monosubstituted benzene ring, a halogen atom and perhaps some short chain. Do you have CNMR to give you more clues?
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Offline Dan

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Re: Strucutre Proposal
« Reply #4 on: April 16, 2015, 06:02:54 AM »
Start with the MS. What is the nominal mass? Any characteristic isotope patterns? Any characteristic fragments?
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Offline pgk

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Re: Strucutre Proposal
« Reply #5 on: April 27, 2015, 05:15:44 PM »
MS spectrum: M+2 peak at intensity ratio about M/M+2 = 1/3 like this one, is a safe criterion of a chorine atom in the molecule.
The reason is that chorine has two principal stable isotopes: 35Cl and 37Cl in relative proportions of about 38/12 w/w.
« Last Edit: April 27, 2015, 06:44:03 PM by pgk »
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