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3(E)-6-(Tolyl-4-sulfonyl)hex-3-en-2-one
SpectraBase Compound ID FHAVJYpZILS
InChI InChI=1S/C13H16O3S/c1-11-6-8-13(9-7-11)17(15,16)10-4-3-5-12(2)14/h3,5-9H,4,10H2,1-2H3/b5-3+
InChIKey PRADHAKZXQSIGP-HWKANZROSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPCppEDaycd
Name 3(E)-6-(Tolyl-4-sulfonyl)hex-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-11-6-8-13(9-7-11)17(15,16)10-4-3-5-12(2)14/h3,5-9H,4,10H2,1-2H3/b5-3+
InChIKey PRADHAKZXQSIGP-HWKANZROSA-N
Molecular Weight 252.328 g/mol
SMILES c1(S(=O)(=O)CC\C=C\C(=O)C)ccc(cc1)C
SPLASH splash10-0002-9000000000-86cd2d3433776ba888ca
Source of Spectrum J-63-9733-0
Synonyms (3E)-6-[(4-methylphenyl)sulfonyl]-3-hexen-2-one
Wiley ID 1255330