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3-(4-methoxyphenyl)sulfanylcyclopentanone
SpectraBase Compound ID Emip4x7h2pu
InChI InChI=1S/C12H14O2S/c1-14-10-3-6-11(7-4-10)15-12-5-2-9(13)8-12/h3-4,6-7,12H,2,5,8H2,1H3
InChIKey XWTNAWAMFUWLAW-UHFFFAOYSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOwRXbLaYiD
Name 3-(4-methoxyphenyl)sulfanylcyclopentanone
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-14-10-3-6-11(7-4-10)15-12-5-2-9(13)8-12/h3-4,6-7,12H,2,5,8H2,1H3
InChIKey XWTNAWAMFUWLAW-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 5973
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0007.c15
Molecular Weight 222.302 g/mol
SMILES C1CC(CC1Sc1ccc(cc1)OC)=O
SPLASH splash10-05fu-9870000000-1fa902d6a45c01ac5169
Source of Spectrum ARK-2006-136-entry 14-Table 2
Wiley ID 1871156