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Benzenesulfonic acid, 4-methyl-, monohydrate

View entire compound with spectra: 2 FTIR, and 1 MS (GC)

Benzenesulfonic acid, 4-methyl-, monohydrate
SpectraBase Compound ID CTLtKEOLsES
InChI InChI=1S/C7H8O3S.O/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);
InChIKey OXCUUENMUQWVBD-UHFFFAOYSA-N
Mol Weight 188.2 g/mol
Molecular Formula C7H8O4S
Exact Mass 188.01433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHI9mGI121e
Name Benzenesulfonic acid, 4-methyl-, monohydrate
Alternate Name(s) 4-Methylbenzenesulfonic acid hydrate 4-Methylbenzenesulfonic acid monohydrate 4-Methylbenzenesulfonic acid;hydrate
CAS Registry Number 6192-52-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O4S
InChI InChI=1S/C7H8O3S.O/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);
InChIKey OXCUUENMUQWVBD-UHFFFAOYSA-N
Molecular Weight 190.213 g/mol
SMILES O.OS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-05vx-9300000000-c2d2ab44a808feeaf038
Source of Spectrum W5-13917-0-0
Wiley ID 1186077