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2,4-Diacetyl-1-(phenylthio)-4-[1-(phenylthio)ethenyl]cyclohexene
SpectraBase Compound ID 6pmaygl48RP
InChI InChI=1S/C24H24O2S2/c1-17(25)22-16-24(18(2)26,19(3)27-20-10-6-4-7-11-20)15-14-23(22)28-21-12-8-5-9-13-21/h4-13H,3,14-16H2,1-2H3
InChIKey BWIYYSMMOCMBRS-UHFFFAOYSA-N
Mol Weight 408.57 g/mol
Molecular Formula C24H24O2S2
Exact Mass 408.121772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Uui89oN85o
Name 2,4-Diacetyl-1-(phenylthio)-4-[1-(phenylthio)ethenyl]cyclohexene
Alternate Name(s) 1-{3-acetyl-4-(phenylsulfanyl)-1-[1-(phenylsulfanyl)vinyl]-3-cyclohexen-1-yl}ethanone
CAS Registry Number 116503-34-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24O2S2
InChI InChI=1S/C24H24O2S2/c1-17(25)22-16-24(18(2)26,19(3)27-20-10-6-4-7-11-20)15-14-23(22)28-21-12-8-5-9-13-21/h4-13H,3,14-16H2,1-2H3
InChIKey BWIYYSMMOCMBRS-UHFFFAOYSA-N
Molecular Weight 408.574 g/mol
SMILES C1(C(Sc2ccccc2)=C)(CC(C(=O)C)=C(CC1)Sc1ccccc1)C(=O)C
SPLASH splash10-0ika-0940200000-075576d72831ea82425b
Source of Spectrum J-53-5308-16
Wiley ID 1373009