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5-Cyano-2-oxo-5-phenyl-cyclohexanecarboxylic acid, methyl ester
SpectraBase Compound ID 3X9eYqwEf9Y
InChI InChI=1S/C15H15NO3/c1-19-14(18)12-9-15(10-16,8-7-13(12)17)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3
InChIKey JNUNIHDBRZOUMB-UHFFFAOYSA-N
Mol Weight 257.29 g/mol
Molecular Formula C15H15NO3
Exact Mass 257.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fa9DU0ATcJQ
Name 5-CYANO-2-OXO-5-PHENYLCYCLOHEXANECARBOXYLIC ACID, METHYL ESTER
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Formula C15H15NO3
InChI InChI=1S/C15H15NO3/c1-19-14(18)12-9-15(10-16,8-7-13(12)17)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3
InChIKey JNUNIHDBRZOUMB-UHFFFAOYSA-N
Molecular Weight 257.1048
SMILES c1cccc(C2(C#N)CC(C(=O)OC)C(=O)CC2)c1
SPLASH splash10-0059-9800000000-23434a1db6d2bdbc4193
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany