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3-amino-4-chloro-2,5-xylenesulfonic acid
SpectraBase Compound ID BKekiMkldcj
InChI InChI=1S/C8H10ClNO3S/c1-4-3-6(14(11,12)13)5(2)8(10)7(4)9/h3H,10H2,1-2H3,(H,11,12,13)
InChIKey BUGRVDFHZHCDTR-UHFFFAOYSA-N
Mol Weight 235.69 g/mol
Molecular Formula C8H10ClNO3S
Exact Mass 235.006992 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dg0PLDFNFuB
Name 3-AMINO-4-CHLORO-2,5-XYLENESULFONIC ACID
Source of Sample A. Courtin, Sandoz AG, Basel, Switzerland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10ClNO3S
InChI InChI=1S/C8H10ClNO3S/c1-4-3-6(14(11,12)13)5(2)8(10)7(4)9/h3H,10H2,1-2H3,(H,11,12,13)
InChIKey BUGRVDFHZHCDTR-UHFFFAOYSA-N
Molecular Weight 235.69
Solvent Deuterium oxide/NaOD; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms 2,5-XYLENESULFONIC ACID, 3-AMINO- 4-CHLORO-,