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Methyl 3-(phenylthio)-4-(3-oxocyclopentyl)but-2-enoate (Z)
SpectraBase Compound ID 873kCA99Wx4
InChI InChI=1S/C16H18O3S/c1-19-16(18)11-15(10-12-7-8-13(17)9-12)20-14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3/b15-11-
InChIKey GBKMOOCYNAQAOG-PTNGSMBKSA-N
Mol Weight 290.38 g/mol
Molecular Formula C16H18O3S
Exact Mass 290.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mBdVgADwVN
Name Methyl 3-(phenylthio)-4-(3-oxocyclopentyl)but-2-enoate (Z)
Alternate Name(s) Methyl (2Z)-4-(3-oxocyclopentyl)-3-(phenylsulfanyl)-2-butenoate
CAS Registry Number 105090-06-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3S
InChI InChI=1S/C16H18O3S/c1-19-16(18)11-15(10-12-7-8-13(17)9-12)20-14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3/b15-11-
InChIKey GBKMOOCYNAQAOG-PTNGSMBKSA-N
Molecular Weight 290.377 g/mol
SMILES c1(S\C(=C/C(=O)OC)CC2CC(=O)CC2)ccccc1
SPLASH splash10-000i-6940000000-824996efc685a781abd3
Source of Spectrum J-52-116-0
Wiley ID 1293535