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(Z)-3-(p-tolylsulfonylmethyl)pent-3-en-2-one
SpectraBase Compound ID HcR34wOpmue
InChI InChI=1S/C13H16O3S/c1-4-12(11(3)14)9-17(15,16)13-7-5-10(2)6-8-13/h4-8H,9H2,1-3H3/b12-4+
InChIKey IHEYSCCDMNMPHT-UUILKARUSA-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 hii4z9iBFf
Name (Z)-3-(p-tolylsulfonylmethyl)pent-3-en-2-one
CAS Registry Number 129665-80-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-4-12(11(3)14)9-17(15,16)13-7-5-10(2)6-8-13/h4-8H,9H2,1-3H3/b12-4+
InChIKey IHEYSCCDMNMPHT-UUILKARUSA-N
Molecular Weight 252.328 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)\C(C(=O)C)=C/C
SPLASH splash10-0007-9000000000-e6974de5c140780cdb24
Source of Spectrum F-46-4001-13
Synonyms (Z)-3-(tosylmethyl)pent-3-en-2-one (Z)-3-[(4-methylphenyl)sulfonylmethyl]-3-penten-2-one (Z)-3-[(4-methylphenyl)sulfonylmethyl]pent-3-en-2-one
Wiley ID 1255305