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Cyclohexanone, 3-[1,1-dimethyl-3-(phenylsulfinyl)-2-propenyl]-, [R*,S*-(E)]-(.+-.)-
SpectraBase Compound ID 94pckcqG86v
InChI InChI=1S/C17H22O2S/c1-17(2,14-7-6-8-15(18)13-14)11-12-20(19)16-9-4-3-5-10-16/h3-5,9-12,14H,6-8,13H2,1-2H3/b12-11+/t14-,20?/m0/s1
InChIKey WIFMVFHWJUXSFF-XBKXKYASSA-N
Mol Weight 290.42 g/mol
Molecular Formula C17H22O2S
Exact Mass 290.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29VvEsvrFbh
Name Cyclohexanone, 3-[1,1-dimethyl-3-(phenylsulfinyl)-2-propenyl]-, [R*,S*-(E)]-(.+-.)-
CAS Registry Number 114678-76-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O2S
InChI InChI=1S/C17H22O2S/c1-17(2,14-7-6-8-15(18)13-14)11-12-20(19)16-9-4-3-5-10-16/h3-5,9-12,14H,6-8,13H2,1-2H3/b12-11+/t14-,20?/m0/s1
InChIKey WIFMVFHWJUXSFF-XBKXKYASSA-N
Molecular Weight 290.421 g/mol
SMILES C(\C=C\[S@@](=O)c1ccccc1)([C@@]1(CC(=O)CCC1)[H])(C)C
SPLASH splash10-056s-0900000000-86ecca69a88626aa2135
Source of Spectrum C-110-5420-46
Synonyms (2'E,3RS,SSRS)-3-[1',1-dimethyl-3'-(phenylsulfinyl)prop-2'-enyl]cyclohexanone (3S)-3-[(2E)-1,1-dimethyl-3-(phenylsulfinyl)-2-propenyl]cyclohexanone
Wiley ID 1293675