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(E)-3-(4-Tolyl-sulfonyl)-pent-3-en-2-one
SpectraBase Compound ID BTV0oK5NWMd
InChI InChI=1S/C12H14O3S/c1-9-4-6-12(7-5-9)16(14,15)11(3)8-10(2)13/h4-8H,1-3H3/b11-8+
InChIKey QGUXENAQQRURBQ-DHZHZOJOSA-N
Mol Weight 238.3 g/mol
Molecular Formula C12H14O3S
Exact Mass 238.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xPGf4cKIhk
Name 3-Penten-2-one, 4-[(4-methylphenyl)sulfonyl]-, (E)-
Alternate Name(s) (3E)-4-[(4-methylphenyl)sulfonyl]-3-penten-2-one (E)-4-(p-tolylsulphonyl)pent-3-en-2-one (E)-4-(4-methylphenyl)sulfonyl-3-penten-2-one (E)-4-(p-tolylsulfonyl)pent-3-en-2-one (E)-4-(4-methylphenyl)sulfonylpent-3-en-2-one
CAS Registry Number 115563-11-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3S
InChI InChI=1S/C12H14O3S/c1-9-4-6-12(7-5-9)16(14,15)11(3)8-10(2)13/h4-8H,1-3H3/b11-8+
InChIKey QGUXENAQQRURBQ-DHZHZOJOSA-N
Molecular Weight 238.301 g/mol
SMILES C(\C=C/(S(c1ccc(cc1)C)(=O)=O)C)(=O)C
SPLASH splash10-000x-9100000000-7718b60da8c4ee8cc4ec
Source of Spectrum KC-1988-1031-3
Wiley ID 1240242