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2-(Benzenesulfonyl)-3(R)-(cyclohexen-1-yl)-2-methyl-cyclopentanone
SpectraBase Compound ID 2PMeZtvbOZc
InChI InChI=1S/C18H22O3S/c1-18(22(20,21)15-10-6-3-7-11-15)16(12-13-17(18)19)14-8-4-2-5-9-14/h3,6-8,10-11,16H,2,4-5,9,12-13H2,1H3
InChIKey GIPXXAVIKYRUFT-UHFFFAOYSA-N
Mol Weight 318.43 g/mol
Molecular Formula C18H22O3S
Exact Mass 318.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMDiTprifSD
Name Cyclopentanone, 3-(1-cyclohexen-1-yl)-2-methyl-2-(phenylsulfonyl)-, cis-
CAS Registry Number 79707-88-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O3S
InChI InChI=1S/C18H22O3S/c1-18(22(20,21)15-10-6-3-7-11-15)16(12-13-17(18)19)14-8-4-2-5-9-14/h3,6-8,10-11,16H,2,4-5,9,12-13H2,1H3
InChIKey GIPXXAVIKYRUFT-UHFFFAOYSA-N
Molecular Weight 318.431 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)(C(C2=CCCCC2)CCC1=O)C
SPLASH splash10-004i-5900000000-61729b4107794d51ddbc
Source of Spectrum C-103-7558-0
Synonyms 2-(benzenesulfonyl)-3-(cyclohex-1-en-1-yl)-2-methylcyclopentanone 3-(1-cyclohexen-1-yl)-2-methyl-2-(phenylsulfonyl)cyclopentanone
Wiley ID 1318489