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(S,E)-3-(p-Tolylsulfinyl)pent-3-en-2-one
SpectraBase Compound ID 3bZATZe3tyU
InChI InChI=1S/C12H14O2S/c1-4-12(10(3)13)15(14)11-7-5-9(2)6-8-11/h4-8H,1-3H3/b12-4+
InChIKey QMKWYEVAYRBMIX-UUILKARUSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91zPZ2Hr2iW
Name (S,E)-3-(p-Tolylsulfinyl)pent-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-4-12(10(3)13)15(14)11-7-5-9(2)6-8-11/h4-8H,1-3H3/b12-4+
InChIKey QMKWYEVAYRBMIX-UUILKARUSA-N
Molecular Weight 222.302 g/mol
SMILES c1(S(\C(C(=O)C)=C/C)=O)ccc(cc1)C
SPLASH splash10-000l-0910000000-d6d71f789ee607755a5c
Source of Spectrum KC-0-1616-7
Synonyms (3E)-3-[(4-methylphenyl)sulfinyl]-3-penten-2-one (E)-3-(4-methylphenyl)sulfinyl-3-penten-2-one (E)-3-(4-methylphenyl)sulfinylpent-3-en-2-one
Wiley ID 825370