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Cyclohexanone, 2-methyl-6-(phenylthio)-
SpectraBase Compound ID 3puFepFu8tq
InChI InChI=1S/C13H16OS/c1-10-6-5-9-12(13(10)14)15-11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3
InChIKey IYYZLLOLTALGGE-UHFFFAOYSA-N
Mol Weight 220.33 g/mol
Molecular Formula C13H16OS
Exact Mass 220.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yci6W5nunU
Name Cyclohexanone, 2-methyl-6-(phenylthio)-
CAS Registry Number 57768-34-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16OS
InChI InChI=1S/C13H16OS/c1-10-6-5-9-12(13(10)14)15-11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3
InChIKey IYYZLLOLTALGGE-UHFFFAOYSA-N
Molecular Weight 220.330 g/mol
SMILES C1(C(Sc2ccccc2)CCCC1C)=O
SPLASH splash10-03xr-9510000000-812d99ccfb24aa9b9d86
Source of Spectrum C-98-4898-0
Synonyms 2-Methyl-6-(phenylsulfanyl)cyclohexanone 2-Methyl-6-phenylthiocyclohexanone
Wiley ID 1219825