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2-Cyclohexen-1-one, 3,4-dimethyl-4-[(phenylsulfonyl)acetyl]-
SpectraBase Compound ID 29xTz5QvCfd
InChI InChI=1S/C16H18O4S/c1-12-10-13(17)8-9-16(12,2)15(18)11-21(19,20)14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3
InChIKey KONFZDQGMSRLNW-UHFFFAOYSA-N
Mol Weight 306.38 g/mol
Molecular Formula C16H18O4S
Exact Mass 306.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITVE92foK1Y
Name 2-Cyclohexen-1-one, 3,4-dimethyl-4-[(phenylsulfonyl)acetyl]-
CAS Registry Number 112905-39-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O4S
InChI InChI=1S/C16H18O4S/c1-12-10-13(17)8-9-16(12,2)15(18)11-21(19,20)14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3
InChIKey KONFZDQGMSRLNW-UHFFFAOYSA-N
Molecular Weight 306.376 g/mol
SMILES C(S(=O)(=O)c1ccccc1)C(C1(C(=CC(CC1)=O)C)C)=O
SPLASH splash10-05i0-9800000000-a0b8bca6ae63b19c9676
Source of Spectrum B-40-1337-11
Synonyms 3,4-Dimethyl-4-[(phenylsulfonyl)acetyl]-2-cyclohexen-1-one 4-[2'-(benzenesulfonyl)-1'-oxoethyl]-3,4-dimethylcyclohex-2-enone
Wiley ID 1307917