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3-Cyclopentene-1-carboxylic acid, 2-[1-(phenylthio)-1-butenyl]-, methyl ester, cis-(.+-.)-
SpectraBase Compound ID EaVv6aIR5FR
InChI InChI=1S/C17H20O2S/c1-3-8-16(20-13-9-5-4-6-10-13)14-11-7-12-15(14)17(18)19-2/h4-11,14-15H,3,12H2,1-2H3/b16-8+/t14-,15+/m0/s1
InChIKey OENWGGGGWRHUEK-NEBPRWJUSA-N
Mol Weight 288.4 g/mol
Molecular Formula C17H20O2S
Exact Mass 288.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID NSLG2B4bgZ
Name 3-Cyclopentene-1-carboxylic acid, 2-[1-(phenylthio)-1-butenyl]-, methyl ester, cis-(.+-.)-
CAS Registry Number 92901-53-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O2S
InChI InChI=1S/C17H20O2S/c1-3-8-16(20-13-9-5-4-6-10-13)14-11-7-12-15(14)17(18)19-2/h4-11,14-15H,3,12H2,1-2H3/b16-8+/t14-,15+/m0/s1
InChIKey OENWGGGGWRHUEK-NEBPRWJUSA-N
Molecular Weight 288.405 g/mol
SMILES [C@@]1(\C(Sc2ccccc2)=C/CC)([C@](C(=O)OC)(CC=C1)[H])[H]
SPLASH splash10-0403-2900000000-786042a8fb421e8c87bc
Source of Spectrum J-49-4669-0
Synonyms Methyl (1R,2S)-2-[(1E)-1-(phenylsulfanyl)-1-butenyl]-3-cyclopentene-1-carboxylate Methyl 2-[1-(phenylthio)buten-1-yl]-3-cyclopentenecarboxylate
Wiley ID 1291797