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2-butanone, 4-[(3,4-dimethylphenyl)sulfonyl]-
SpectraBase Compound ID 3I4ARF0cmPe
InChI InChI=1S/C12H16O3S/c1-9-4-5-12(8-10(9)2)16(14,15)7-6-11(3)13/h4-5,8H,6-7H2,1-3H3
InChIKey DSOPGKFNVNVBPT-UHFFFAOYSA-N
Mol Weight 240.32 g/mol
Molecular Formula C12H16O3S
Exact Mass 240.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Egj2X97Jl8E
Name 4-(3,4-dimethylphenyl)sulfonyl-2-butanone
CAS Registry Number 339207-79-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3S
InChI InChI=1S/C12H16O3S/c1-9-4-5-12(8-10(9)2)16(14,15)7-6-11(3)13/h4-5,8H,6-7H2,1-3H3
InChIKey DSOPGKFNVNVBPT-UHFFFAOYSA-N
Molecular Weight 240.317 g/mol
SMILES CC(CCS(c1cc(C)c(cc1)C)(=O)=O)=O
SPLASH splash10-0006-9200000000-f4cd0d4968f4077be827
Synonyms 4-(3,4-dimethylphenyl)sulfonylbutan-2-one
Wiley ID 1458841