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Propanoic acid, 2-[2-(phenylthio)cyclopentylidene]-, methyl ester, (E)-
SpectraBase Compound ID 83KhDwADSy6
InChI InChI=1S/C15H18O2S/c1-11(15(16)17-2)13-9-6-10-14(13)18-12-7-4-3-5-8-12/h3-5,7-8,14H,6,9-10H2,1-2H3/b13-11+
InChIKey BQYFZVODDDTIKN-ACCUITESSA-N
Mol Weight 262.37 g/mol
Molecular Formula C15H18O2S
Exact Mass 262.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XEF4tXlvDN
Name Propanoic acid, 2-[2-(phenylthio)cyclopentylidene]-, methyl ester, (E)-
CAS Registry Number 109542-16-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O2S
InChI InChI=1S/C15H18O2S/c1-11(15(16)17-2)13-9-6-10-14(13)18-12-7-4-3-5-8-12/h3-5,7-8,14H,6,9-10H2,1-2H3/b13-11+
InChIKey BQYFZVODDDTIKN-ACCUITESSA-N
Molecular Weight 262.367 g/mol
SMILES C(\C(=C\1C(Sc2ccccc2)CCC1)C)(=O)OC
SPLASH splash10-0ik9-0920000000-a25bbcc5e1fff48f6183
Source of Spectrum KC-1986-1955-27
Synonyms Methyl (2E)-2-[2-(phenylsulfanyl)cyclopentylidene]propanoate Methyl 2-(2-phenylthiocyclopentylidene)propanoate
Wiley ID 1265790