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1-((4-methylphenyl)sulfonyl)-3,3,4,4-tetramethyl-5-hexen-2-one
SpectraBase Compound ID J2r8kVMxsqy
InChI InChI=1S/C17H24O3S/c1-7-16(3,4)17(5,6)15(18)12-21(19,20)14-10-8-13(2)9-11-14/h7-11H,1,12H2,2-6H3
InChIKey SZVWNRXSZKFOJK-UHFFFAOYSA-N
Mol Weight 308.44 g/mol
Molecular Formula C17H24O3S
Exact Mass 308.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQMmrSQqmzz
Name 1-((4-methylphenyl)sulfonyl)-3,3,4,4-tetramethyl-5-hexen-2-one
Alternate Name(s) 3,3,4,4-tetramethyl-1-[(4-methylphenyl)sulfonyl]-5-hexen-2-one
CAS Registry Number 91873-80-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O3S
InChI InChI=1S/C17H24O3S/c1-7-16(3,4)17(5,6)15(18)12-21(19,20)14-10-8-13(2)9-11-14/h7-11H,1,12H2,2-6H3
InChIKey SZVWNRXSZKFOJK-UHFFFAOYSA-N
Molecular Weight 308.436 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)C(C(C(C=C)(C)C)(C)C)=O
SPLASH splash10-014u-9000000000-b6c66c55ac27f9cba801
Source of Spectrum C-111-8889-3
Wiley ID 1309756