For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
p-Toluenesulfonic acid
SpectraBase Compound ID BLAzAXWpHVZ
InChI InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
InChIKey JOXIMZWYDAKGHI-UHFFFAOYSA-N
Mol Weight 172.2 g/mol
Molecular Formula C7H8O3S
Exact Mass 172.019415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8GpO8cefHY8
Name p-Toluenesulfonic acid
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 172.019415289 u
Formula C7H8O3S
InChI InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
InChIKey JOXIMZWYDAKGHI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 172.198 g/mol
Nominal Mass 172 u
Quality 975
Retention Index 1185
SMILES OS(C=1C=CC(=CC1)C)(=O)=O
SPLASH splash10-052f-9400000000-3e7feb1401652ac62ea8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-methylbenzene-1-sulfonic acid
Technique GC/MS
Wiley ID DD2024_032345