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4-Methylbenzenesulfinic acid

View entire compound with spectra: 1 NMR, and 6 MS (GC)

4-Methylbenzenesulfinic acid
SpectraBase Compound ID KUMiDT457PR
InChI InChI=1S/C7H8O2S/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3,(H,8,9)
InChIKey FXJVNINSOKCNJP-UHFFFAOYSA-N
Mol Weight 156.2 g/mol
Molecular Formula C7H8O2S
Exact Mass 156.024501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zYTTaL70Uv
Name 4-Methylbenzenesulfinic acid
Alternate Name(s) 4-Toluenesulfinic acid p-Toluenesulfinic acid 4-Methyl-benzenesulfinic acid Benzenesulfinic acid, 4-methyl- 4-Toluenesulphinic acid toluene-sulfinic acid Toluene-4-sulphinic acid p-Toluenesulphinic acid toluene-4-sulfinic acid Para-toluenesulfinic acid para-toluene sulfinic acid EINECS 208-638-3
CAS Registry Number 536-57-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8O2S
InChI InChI=1S/C7H8O2S/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3,(H,8,9)
InChIKey FXJVNINSOKCNJP-UHFFFAOYSA-N
Molecular Weight 156.199 g/mol
SMILES OS(c1ccc(cc1)C)=O
SPLASH splash10-00du-4900000000-6ce230b53cdaf71b5dd5
Source of Spectrum K1-2002-446-2
Wiley ID 1522007