John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=521BdKE89OI SpectraBase Spectrum ID=2vek958ZM8

(accessed ).
2-chloro-5-nitrobenzenesulfonic acid, dihydrate
SpectraBase Compound ID 521BdKE89OI
InChI InChI=1S/C6H4ClNO5S.2H2O/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13;;/h1-3H,(H,11,12,13);2*1H2
InChIKey MUHAACGBKWBPCJ-UHFFFAOYSA-N
Mol Weight 273.64 g/mol
Molecular Formula C6H8ClNO7S
Exact Mass 272.971001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vek958ZM8
Name 2-CHLORO-5-NITROBENZENESULFONIC ACID, DIHYDRATE
Source of Sample Eastman Organic Chemicals, Rochester, New York
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H4ClNO5S 2H2O
InChI InChI=1S/C6H4ClNO5S.2H2O/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13;;/h1-3H,(H,11,12,13);2*1H2
InChIKey MUHAACGBKWBPCJ-UHFFFAOYSA-N
Molecular Weight 273.65
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
SpectraBase Batch ID LJACFIg9EAE
Synonyms BENZENESULFONIC ACID, 2-CHLORO- 5-NITRO-, DIHYDRATE