Google Answers: Spectra from Organic Structures. Given: Smile notaition.

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Q: Spectra from Organic Structures. Given: Smile notaition. ( No Answer, 2 Comments )

Question

Subject: Spectra from Organic Structures. Given: Smile notaition.
Category: Science > Chemistry
Asked by: ssjunnu-ga
List Price: $10.00

Posted: 15 Dec 2003 18:42 PST
Expires: 14 Jan 2004 18:42 PST
Question ID: 287530

C(c1ccccc1)(=O)/C=C/C(C)C
Does this compound exist? If it does, can I have IR, CNMR and/or HNMR
spectra for the same?

Answer

There is no answer at this time.

Comments

Subject: Re: Spectra from Organic Structures. Given: Smile notaition.
From: arsenic-ga on 16 Dec 2003 14:51 PST

I guess it probably exists; the name would be 4-methyl-1-phenylpent-2-en-1-one.

Subject: Re: Spectra from Organic Structures. Given: Smile notaition.
From: dmgange-ga on 02 Jan 2004 08:29 PST

The SMILES for this can be rewritten as c1ccccc1C(=O)/C=C/C(C)C.  So
the structure is phenyl-carbonyl group-trans double bond-isopropyl
group, condensation product of acetophenone and 2-Methyl
propionaldehyde (O=CC(C)C)  Details on SMILES notation can be found at
www.daylight.com.  The compound exists and is probably commercially
available.

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