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3,3-Dimethyl-4,4-diethyl-1-((4-methylphenyl)sulfonyl)-5-hexen-2-one
SpectraBase Compound ID FFv8le4mAz1
InChI InChI=1S/C19H28O3S/c1-7-19(8-2,9-3)18(5,6)17(20)14-23(21,22)16-12-10-15(4)11-13-16/h7,10-13H,1,8-9,14H2,2-6H3
InChIKey WCOKGQWSMXGGPB-UHFFFAOYSA-N
Mol Weight 336.49 g/mol
Molecular Formula C19H28O3S
Exact Mass 336.175916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdOmUZPxQdX
Name 3,3-Dimethyl-4,4-diethyl-1-((4-methylphenyl)sulfonyl)-5-hexen-2-one
CAS Registry Number 123209-34-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O3S
InChI InChI=1S/C19H28O3S/c1-7-19(8-2,9-3)18(5,6)17(20)14-23(21,22)16-12-10-15(4)11-13-16/h7,10-13H,1,8-9,14H2,2-6H3
InChIKey WCOKGQWSMXGGPB-UHFFFAOYSA-N
Molecular Weight 336.490 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)C(C(C(C=C)(CC)CC)(C)C)=O
SPLASH splash10-0a4u-9110000000-9ca7484c064bf28c199c
Source of Spectrum C-111-8889-3
Synonyms 4,4-Diethyl-3,3-dimethyl-1-[(4-methylphenyl)sulfonyl]-5-hexen-2-one
Wiley ID 1332412