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o-cyano-alpha-toluenesulfonic acid, sodium salt

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o-cyano-alpha-toluenesulfonic acid, sodium salt
SpectraBase Compound ID IJZt2RyXSWo
InChI InChI=1S/C8H7NO3S.Na/c9-5-7-3-1-2-4-8(7)6-13(10,11)12;/h1-4H,6H2,(H,10,11,12);/q;+1/p-1
InChIKey GEDNNRCEBYWLKO-UHFFFAOYSA-M
Mol Weight 219.19 g/mol
Molecular Formula C8H6NNaO3S
Exact Mass 218.996609 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6vaYXMaW3mv
Name sodium (2-cyanophenyl)methanesulfonate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C8H7NO3S.Na/c9-5-7-3-1-2-4-8(7)6-13(10,11)12;/h1-4H,6H2,(H,10,11,12);/q;+1/p-1
InChIKey GEDNNRCEBYWLKO-UHFFFAOYSA-M
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16155
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 987/00003288; Labnumber: 987/00003288218839; VK_ID: VK-016160
Temperature 308 °C