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4-chloro-5-nitro-m-toluenesulfonic acid, sodium salt

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4-chloro-5-nitro-m-toluenesulfonic acid, sodium salt
SpectraBase Compound ID 1szxiIA10mZ
InChI InChI=1S/C7H6ClNO5S.Na/c1-4-2-5(15(12,13)14)3-6(7(4)8)9(10)11;/h2-3H,1H3,(H,12,13,14);/q;+1/p-1
InChIKey WUQOYVBOBYHOCT-UHFFFAOYSA-M
Mol Weight 273.62176928 g/mol
Molecular Formula C7H5ClNNaO5S
Exact Mass 272.947465 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FzoKBaEDtlx
Name sodium 4-chloro-3-methyl-5-nitrobenzenesulfonate
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/C7H6ClNO5S.Na/c1-4-2-5(15(12,13)14)3-6(7(4)8)9(10)11;/h2-3H,1H3,(H,12,13,14);/q;+1/p-1
InChIKey WUQOYVBOBYHOCT-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_17750
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: 987/00006098; Labnumber: 987/00006098218874; VK_ID: VK-017755
Temperature 318 °C