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5-SULFONATOISATATE
SpectraBase Compound ID KabnqlNOak1
InChI InChI=1S/C8H7NO6S/c9-6-2-1-4(16(13,14)15)3-5(6)7(10)8(11)12/h1-3H,9H2,(H,11,12)(H,13,14,15)/p-1
InChIKey PEXOQNGKPQCEJB-UHFFFAOYSA-M
Mol Weight 244.2 g/mol
Molecular Formula C8H6NO6S
Exact Mass 243.991583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7OWHONfBdCb
Name 5-SULFONATOISATATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H6NO6S
InChI InChI=1S/C8H7NO6S/c9-6-2-1-4(16(13,14)15)3-5(6)7(10)8(11)12/h1-3H,9H2,(H,11,12)(H,13,14,15)/p-1
InChIKey PEXOQNGKPQCEJB-UHFFFAOYSA-M
Literature Reference Author H.STUENZI
Literature Reference Citation AUSTR.J.CHEM.,34,365(1981)
Literature Reference DOI 10.1071/ch9810365
Molecular Weight 244.199 g/mol
Solvent D2O;PKA=3.44
Source File Reference UWCS7664