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6-amino-4-chloro-m-toluenesulfonic acid

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6-amino-4-chloro-m-toluenesulfonic acid
SpectraBase Compound ID I7roxnH1PVC
InChI InChI=1S/C7H8ClNO3S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,9H2,1H3,(H,10,11,12)
InChIKey VRLPHBSFRWMMPW-UHFFFAOYSA-N
Mol Weight 221.66 g/mol
Molecular Formula C7H8ClNO3S
Exact Mass 220.991342 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4zfaWx8Jq4
Name 6-AMINO-4-CHLORO-m-TOLUENESULFONIC ACID
Source of Sample A. Hardt, W. Bremser BASF Ludwigshafen (1983)
CAS Registry Number 88-51-7
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8ClNO3S
InChI InChI=1S/C7H8ClNO3S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,9H2,1H3,(H,10,11,12)
InChIKey VRLPHBSFRWMMPW-UHFFFAOYSA-N
Molecular Weight 221.66
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WH-270
Synonyms M-TOLUENESULFONIC ACID, 6-AMINO-4- CHLORO-,