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Methyl 4-cyano-6-oxo-4-phenylhexanoate
SpectraBase Compound ID Ja3DR9dZLFs
InChI InChI=1S/C14H15NO3/c1-18-13(17)7-8-14(11-15,9-10-16)12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3
InChIKey NIECVTBJDDHTFK-UHFFFAOYSA-N
Mol Weight 245.28 g/mol
Molecular Formula C14H15NO3
Exact Mass 245.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXm4SNoEgZv
Name Methyl 4-cyano-6-oxo-4-phenylhexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO3
InChI InChI=1S/C14H15NO3/c1-18-13(17)7-8-14(11-15,9-10-16)12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3
InChIKey NIECVTBJDDHTFK-UHFFFAOYSA-N
Molecular Weight 245.278 g/mol
SMILES C(#N)C(CCC(=O)OC)(c1ccccc1)CC=O
SPLASH splash10-0fuu-2900000000-11af50cebef617efdc45
Source of Spectrum Y-34-651-8
Synonyms 4-cyano-6-keto-4-phenyl-hexanoic acid methyl ester 4-cyano-6-oxo-4-phenylhexanoic acid methyl ester Methyl 4-cyano-6-oxidanylidene-4-phenyl-hexanoate
Wiley ID 1248047