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2-AMINO-4-CHLOROBENZENESULFONIC ACID, SODIUM SALT

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2-AMINO-4-CHLOROBENZENESULFONIC ACID, SODIUM SALT
SpectraBase Compound ID D7An1JUh5wc
InChI InChI=1S/C6H6ClNO3S.Na/c7-4-1-2-6(5(8)3-4)12(9,10)11;/h1-3H,8H2,(H,9,10,11);/q;+1/p-1
InChIKey YPUSLOONAIXPRJ-UHFFFAOYSA-M
Mol Weight 229.61 g/mol
Molecular Formula C6H5ClNNaO3S
Exact Mass 228.957636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KHp2RKrg2YK
Name 2-AMINO-4-CHLOROBENZENESULFONIC ACID, SODIUM SALT
Source of Sample R. Rupprecht, W. Bremser BASF Ludwigshafen (1983)
CAS Registry Number 78846-23-8
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5ClNNaO3S
InChI InChI=1S/C6H6ClNO3S.Na/c7-4-1-2-6(5(8)3-4)12(9,10)11;/h1-3H,8H2,(H,9,10,11);/q;+1/p-1
InChIKey YPUSLOONAIXPRJ-UHFFFAOYSA-M
Molecular Weight 229.62
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WM-360
Synonyms BENZENESULFONIC ACID, 2-AMINO- 4-CHLORO-, SODIUM SALT