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4-Heptenoic acid, 6-acetylthio-5-cyano-7-phenyl-, methyl ester

View entire compound with spectra: 2 MS (GC)

4-Heptenoic acid, 6-acetylthio-5-cyano-7-phenyl-, methyl ester
SpectraBase Compound ID 8B5uk92VdKJ
InChI InChI=1S/C17H19NO3S/c1-13(19)22-16(11-14-7-4-3-5-8-14)15(12-18)9-6-10-17(20)21-2/h3-5,7-9,16H,6,10-11H2,1-2H3/b15-9+
InChIKey OWJAPHMZCNFPEI-OQLLNIDSSA-N
Mol Weight 317.4 g/mol
Molecular Formula C17H19NO3S
Exact Mass 317.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUI3LlP8vN9
Name
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H19NO3S
InChI InChI=1S/C17H19NO3S/c1-13(19)22-16(11-14-7-4-3-5-8-14)15(12-18)9-6-10-17(20)21-2/h3-5,7-9,16H,6,10-11H2,1-2H3/b15-9+
InChIKey OWJAPHMZCNFPEI-OQLLNIDSSA-N
Molecular Weight 317.1081
SMILES c1(CC(\C(=C\CCC(OC)=O)C#N)SC(=O)C)ccccc1
SPLASH splash10-000x-5920000000-77ad91acd4008569dc0d
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany