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2-[1,1-dimethyl-3-((4-methylphenyl)sulfonyl)-2-oxopropyl]-methylidenecyclohexane
SpectraBase Compound ID 4Iqks8o94Gv
InChI InChI=1S/C19H26O3S/c1-14-9-11-16(12-10-14)23(21,22)13-18(20)19(3,4)17-8-6-5-7-15(17)2/h9-12,17H,2,5-8,13H2,1,3-4H3
InChIKey VPDNRYDZJQRXHT-UHFFFAOYSA-N
Mol Weight 334.47 g/mol
Molecular Formula C19H26O3S
Exact Mass 334.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVGdKTYFc2I
Name 2-[1,1-dimethyl-3-((4-methylphenyl)sulfonyl)-2-oxopropyl]-methylidenecyclohexane
Alternate Name(s) 3-Methyl-3-(2-methylenecyclohexyl)-1-[(4-methylphenyl)sulfonyl]-2-butanone
CAS Registry Number 123209-33-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O3S
InChI InChI=1S/C19H26O3S/c1-14-9-11-16(12-10-14)23(21,22)13-18(20)19(3,4)17-8-6-5-7-15(17)2/h9-12,17H,2,5-8,13H2,1,3-4H3
InChIKey VPDNRYDZJQRXHT-UHFFFAOYSA-N
Molecular Weight 334.474 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)C(C(C1C(=C)CCCC1)(C)C)=O
SPLASH splash10-000i-5920000000-60cd6394294a0263fb9a
Source of Spectrum C-111-8889-3
Wiley ID 1330955