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3-Methyl-3-[(E)-3-(4-methylphenyl)sulfinylprop-2-enyl]-1-cyclopentanone
SpectraBase Compound ID C1scwFkquF4
InChI InChI=1S/C16H20O2S/c1-13-4-6-15(7-5-13)19(18)11-3-9-16(2)10-8-14(17)12-16/h3-7,11H,8-10,12H2,1-2H3/b11-3+
InChIKey CCWDPCRJNYRQBX-QDEBKDIKSA-N
Mol Weight 276.39 g/mol
Molecular Formula C16H20O2S
Exact Mass 276.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kqwJ8l8MGa
Name 3-Methyl-3-[(E)-3-(4-methylphenyl)sulfinylprop-2-enyl]-1-cyclopentanone
CAS Registry Number 114718-24-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O2S
InChI InChI=1S/C16H20O2S/c1-13-4-6-15(7-5-13)19(18)11-3-9-16(2)10-8-14(17)12-16/h3-7,11H,8-10,12H2,1-2H3/b11-3+
InChIKey CCWDPCRJNYRQBX-QDEBKDIKSA-N
Molecular Weight 276.394 g/mol
SMILES c1(S(\C=C\CC2(CC(=O)CC2)C)=O)ccc(cc1)C
SPLASH splash10-001i-2920000000-995b0b9c6499f2bebc6b
Source of Spectrum C-110-5420-45
Synonyms 3-Methyl-3-[(E)-3-(4-methylphenyl)sulfinylprop-2-enyl]cyclopentan-1-one 3-Methyl-3-[(E)-3-(p-tolylsulfinyl)allyl]cyclopentanone
Wiley ID 1280104