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2-Sulfobenzoic acid hydrate

View entire compound with spectra: 2 NMR, 2 FTIR, and 1 Raman

2-Sulfobenzoic acid hydrate
SpectraBase Compound ID IDruv6yIwoX
InChI InChI=1S/C7H6O5S.H2O/c8-7(9)5-3-1-2-4-6(5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);1H2
InChIKey HVJWSZOEEIYKSS-UHFFFAOYSA-N
Mol Weight 220.19 g/mol
Molecular Formula C7H8O6S
Exact Mass 220.004159 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Jr25ZfPpxer
Name 2-Sulfobenzoic acid hydrate
Source of Sample Aldrich
Catalog Number 245224
CAS Registry Number 123333-68-6
Classification Aromatic sulfur-oxygen compounds
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8O6S
InChI InChI=1S/C7H6O5S.H2O/c8-7(9)5-3-1-2-4-6(5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);1H2
InChIKey HVJWSZOEEIYKSS-UHFFFAOYSA-N
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Mull
Wiley ID SIAL_FTIR_1_4519