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5-nitro-o-toluenesulfonic acid, sodium salt hydrate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 UV-Vis

5-nitro-o-toluenesulfonic acid, sodium salt hydrate
SpectraBase Compound ID 17GmY1PsgCA
InChI InChI=1S/C7H7NO5S.Na.H2O/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13;;/h2-4H,1H3,(H,11,12,13);;1H2/q;+1;/p-1
InChIKey JZVOECKYWUEMIS-UHFFFAOYSA-M
Mol Weight 257.19176928 g/mol
Molecular Formula C7H8NNaO6S
Exact Mass 256.997002 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID KmNHNaFMfHy
Name 5-NITRO-o-TOLUENESULFONIC ACID, SODIUM SALT, HYDRATE
Source of Sample EASTMAN ORGANIC CHEMICALS, ROCHESTER, NEW YORK
Catalog Number 464
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8NNaO6S
InChI InChI=1S/C7H7NO5S.Na.H2O/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13;;/h2-4H,1H3,(H,11,12,13);;1H2/q;+1;/p-1
InChIKey JZVOECKYWUEMIS-UHFFFAOYSA-M
Melting Point 136.5-140C
Molecular Weight 257.193390
Synonyms O-TOLUENESULFONIC ACID, 5-NITRO-, SODIUM SALT, HYDRATE
Technique KBr WAFER