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2-Cyclopenten-1-one, 3-[(phenylthio)methyl]-
SpectraBase Compound ID 1PaXYBfPADv
InChI InChI=1S/C12H12OS/c13-11-7-6-10(8-11)9-14-12-4-2-1-3-5-12/h1-5,8H,6-7,9H2
InChIKey XNZJKHNADNNUBX-UHFFFAOYSA-N
Mol Weight 204.29 g/mol
Molecular Formula C12H12OS
Exact Mass 204.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3B0DzyU5gSN
Name 2-Cyclopenten-1-one, 3-[(phenylthio)methyl]-
Alternate Name(s) 3-((phenylthio)methyl)-2-cyclopentenone 3-[(phenylsulfanyl)methyl]-2-cyclopenten-1-one
CAS Registry Number 85152-68-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12OS
InChI InChI=1S/C12H12OS/c13-11-7-6-10(8-11)9-14-12-4-2-1-3-5-12/h1-5,8H,6-7,9H2
InChIKey XNZJKHNADNNUBX-UHFFFAOYSA-N
Molecular Weight 204.287 g/mol
SMILES C1=C(CSc2ccccc2)CCC1=O
SPLASH splash10-0udi-1190000000-8835f795bc51a450fe97
Source of Spectrum C-105-2813-0
Wiley ID 1201771