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1-(4-Methylphenyl)sulfonylheptan-2-one
SpectraBase Compound ID 8ADeKh3TMjK
InChI InChI=1S/C14H20O3S/c1-3-4-5-6-13(15)11-18(16,17)14-9-7-12(2)8-10-14/h7-10H,3-6,11H2,1-2H3
InChIKey ABMBIMGOZIOSFB-UHFFFAOYSA-N
Mol Weight 268.37 g/mol
Molecular Formula C14H20O3S
Exact Mass 268.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2HSEPiJk4P
Name 1-(4-Methylphenyl)sulfonylheptan-2-one
CAS Registry Number 129665-76-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3S
InChI InChI=1S/C14H20O3S/c1-3-4-5-6-13(15)11-18(16,17)14-9-7-12(2)8-10-14/h7-10H,3-6,11H2,1-2H3
InChIKey ABMBIMGOZIOSFB-UHFFFAOYSA-N
Molecular Weight 268.371 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)C(=O)CCCCC
SPLASH splash10-000g-9600000000-a2a1afe711a435c79459
Source of Spectrum F-46-4000-10
Synonyms 1-(p-tolylsulfonyl)heptan-2-one 1-Tosylheptan-2-one
Wiley ID 1271973