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5-Isatinsulfonic acid, sodium salt dihydrate

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

5-Isatinsulfonic acid, sodium salt dihydrate
SpectraBase Compound ID 46TWgCoqq3h
InChI InChI=1S/C8H5NO5S.Na.2H2O/c10-7-5-3-4(15(12,13)14)1-2-6(5)9-8(7)11;;;/h1-3H,(H,9,10,11)(H,12,13,14);;2*1H2/q;+1;;/p-1
InChIKey QOAFLTFHMZZJFP-UHFFFAOYSA-M
Mol Weight 285.202 g/mol
Molecular Formula C8H8NNaO7S
Exact Mass 284.991917 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID HFnQxHpcS52
Name 5-Isatinsulfonic acid, sodium salt dihydrate
Source of Sample Aldrich
Catalog Number 149330
CAS Registry Number 652154-08-0
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 C8H8NNaO7S
InChI InChI=1S/C8H5NO5S.Na.2H2O/c10-7-5-3-4(15(12,13)14)1-2-6(5)9-8(7)11;;;/h1-3H,(H,9,10,11)(H,12,13,14);;2*1H2/q;+1;;/p-1
InChIKey QOAFLTFHMZZJFP-UHFFFAOYSA-M
Purity 97%
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Mull
Wiley ID SIAL_FTIR_1_1493