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2-Cyclopenten-1-one, 2-methyl-3-[(phenylthio)methyl]-
SpectraBase Compound ID 6os8wHLjUPq
InChI InChI=1S/C13H14OS/c1-10-11(7-8-13(10)14)9-15-12-5-3-2-4-6-12/h2-6H,7-9H2,1H3
InChIKey WBLCCPPMXVDICI-UHFFFAOYSA-N
Mol Weight 218.31 g/mol
Molecular Formula C13H14OS
Exact Mass 218.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kc8dMTRYsyy
Name 2-Cyclopenten-1-one, 2-methyl-3-[(phenylthio)methyl]-
CAS Registry Number 122190-10-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14OS
InChI InChI=1S/C13H14OS/c1-10-11(7-8-13(10)14)9-15-12-5-3-2-4-6-12/h2-6H,7-9H2,1H3
InChIKey WBLCCPPMXVDICI-UHFFFAOYSA-N
Molecular Weight 218.314 g/mol
SMILES C1(=C(CSc2ccccc2)CCC1=O)C
SPLASH splash10-02t9-9670000000-37cacca5b9d58181fba3
Source of Spectrum J-54-4411-28
Synonyms 2-Methyl-3-[(phenylsulfanyl)methyl]-2-cyclopenten-1-one 2-Methyl-3-[(phenylthio)methyl]-2-cyclopentenone
Wiley ID 1217668