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3-(p-tolylsulfonylmethyl)heptan-2-one
SpectraBase Compound ID BS60v8T5Aaj
InChI InChI=1S/C15H22O3S/c1-4-5-6-14(13(3)16)11-19(17,18)15-9-7-12(2)8-10-15/h7-10,14H,4-6,11H2,1-3H3
InChIKey WAYKQCQTTIMKAU-UHFFFAOYSA-N
Mol Weight 282.4 g/mol
Molecular Formula C15H22O3S
Exact Mass 282.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQUJ4WZEEun
Name 3-(p-tolylsulfonylmethyl)heptan-2-one
CAS Registry Number 129665-79-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3S
InChI InChI=1S/C15H22O3S/c1-4-5-6-14(13(3)16)11-19(17,18)15-9-7-12(2)8-10-15/h7-10,14H,4-6,11H2,1-3H3
InChIKey WAYKQCQTTIMKAU-UHFFFAOYSA-N
Molecular Weight 282.398 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)C(C(=O)C)CCCC
SPLASH splash10-0006-9200000000-8ce8b9849d7160185a97
Source of Spectrum F-46-4001-11
Synonyms 3-(tosylmethyl)heptan-2-one 3-[(4-methylphenyl)sulfonylmethyl]heptan-2-one
Wiley ID 1285754