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Toluene-4-sulfonic acid 4,4-Dimethyl-5-oxopentyl ester
SpectraBase Compound ID Jbmwr3K5gtQ
InChI InChI=1S/C14H20O4S/c1-12-5-7-13(8-6-12)19(16,17)18-10-4-9-14(2,3)11-15/h5-8,11H,4,9-10H2,1-3H3
InChIKey FQEFYKNRPVHGTQ-UHFFFAOYSA-N
Mol Weight 284.37 g/mol
Molecular Formula C14H20O4S
Exact Mass 284.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lp0FXUX0oa0
Name Toluene-4-sulfonic acid 4,4-Dimethyl-5-oxopentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O4S
InChI InChI=1S/C14H20O4S/c1-12-5-7-13(8-6-12)19(16,17)18-10-4-9-14(2,3)11-15/h5-8,11H,4,9-10H2,1-3H3
InChIKey FQEFYKNRPVHGTQ-UHFFFAOYSA-N
Molecular Weight 284.370 g/mol
SMILES c1(ccc(cc1)S(=O)(=O)OCCCC(C=O)(C)C)C
SPLASH splash10-00di-0910000000-1a0da9bd7cb7aeb553d5
Source of Spectrum F-69-1932-12
Synonyms 4,4-Dimethyl-5-oxopentyl 4-methylbenzenesulfonate
Wiley ID 1594788