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3-(4-Methylphenyl)sulfonyl-4-oxidanylidene-dodecanoic acid
SpectraBase Compound ID KPq2xcGvSBi
InChI InChI=1S/C19H28O5S/c1-3-4-5-6-7-8-9-17(20)18(14-19(21)22)25(23,24)16-12-10-15(2)11-13-16/h10-13,18H,3-9,14H2,1-2H3,(H,21,22)
InChIKey WOSXBAJXDULVNM-UHFFFAOYSA-N
Mol Weight 368.49 g/mol
Molecular Formula C19H28O5S
Exact Mass 368.165745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vA066FkJa
Name 3-(4-Methylphenyl)sulfonyl-4-oxidanylidene-dodecanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O5S
InChI InChI=1S/C19H28O5S/c1-3-4-5-6-7-8-9-17(20)18(14-19(21)22)25(23,24)16-12-10-15(2)11-13-16/h10-13,18H,3-9,14H2,1-2H3,(H,21,22)
InChIKey WOSXBAJXDULVNM-UHFFFAOYSA-N
Molecular Weight 368.488 g/mol
SMILES OC(CC(S(c1ccc(cc1)C)(=O)=O)C(=O)CCCCCCCC)=O
SPLASH splash10-052f-9200000000-1f2b4f3345434bb7e302
Source of Spectrum J-59-3207-12
Synonyms 4-keto-3-tosyl-lauric acid 4-Oxo-3-(p-tolylsulfonyl)dodecanoic acid
Wiley ID 1352934