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2-Propanone, 3-(1-cyclohexen-1-yl)-1,1-bis(phenylthio)-
SpectraBase Compound ID FdowTwnQnG7
InChI InChI=1S/C21H22OS2/c22-20(16-17-10-4-1-5-11-17)21(23-18-12-6-2-7-13-18)24-19-14-8-3-9-15-19/h2-3,6-10,12-15,21H,1,4-5,11,16H2
InChIKey FXJNYAYGPPYVFQ-UHFFFAOYSA-N
Mol Weight 354.53 g/mol
Molecular Formula C21H22OS2
Exact Mass 354.111208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qGmocdE7nP
Name 2-Propanone, 3-(1-cyclohexen-1-yl)-1,1-bis(phenylthio)-
CAS Registry Number 111731-04-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22OS2
InChI InChI=1S/C21H22OS2/c22-20(16-17-10-4-1-5-11-17)21(23-18-12-6-2-7-13-18)24-19-14-8-3-9-15-19/h2-3,6-10,12-15,21H,1,4-5,11,16H2
InChIKey FXJNYAYGPPYVFQ-UHFFFAOYSA-N
Molecular Weight 354.526 g/mol
SMILES C(C(CC1=CCCCC1)=O)(Sc1ccccc1)Sc1ccccc1
SPLASH splash10-05ai-8940000000-555cf171dd7438a382c0
Source of Spectrum F-43-2481-3
Synonyms 1,1-bis(phenylthio)-3-(cyclohex-1-enyl)-propan-2-one 1,1-bis(phenylthio)-3-(cyclohexene-1-yl)-2-propanone 3-(1-cyclohexen-1-yl)-1,1-bis(phenylsulfanyl)acetone
Wiley ID 1344666