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1-(1,1-dimethyl-2-propenyl)-1-[2-((4-methylphenyl)sulfonyl)-1-oxo-ethyl]cyclohexane
SpectraBase Compound ID 7MbSeSw9f4W
InChI InChI=1S/C20H28O3S/c1-5-19(3,4)20(13-7-6-8-14-20)18(21)15-24(22,23)17-11-9-16(2)10-12-17/h5,9-12H,1,6-8,13-15H2,2-4H3
InChIKey OUBFPWNEPUHWGW-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C20H28O3S
Exact Mass 348.175916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GPzIZ5HnhSj
Name 1-(1,1-dimethyl-2-propenyl)-1-[2-((4-methylphenyl)sulfonyl)-1-oxo-ethyl]cyclohexane
CAS Registry Number 91873-82-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3S
InChI InChI=1S/C20H28O3S/c1-5-19(3,4)20(13-7-6-8-14-20)18(21)15-24(22,23)17-11-9-16(2)10-12-17/h5,9-12H,1,6-8,13-15H2,2-4H3
InChIKey OUBFPWNEPUHWGW-UHFFFAOYSA-N
Molecular Weight 348.501 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)C(C1(C(C=C)(C)C)CCCCC1)=O
SPLASH splash10-00xu-9400000000-6e57e6c784e1ca648b08
Source of Spectrum C-111-8889-3
Synonyms 1-[1-(1,1-dimethyl-2-propenyl)cyclohexyl]-2-[(4-methylphenyl)sulfonyl]ethanone
Wiley ID 1340685