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phenylsulfoacetic acid, compound with pyridine (1:1)

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 UV-Vis

phenylsulfoacetic acid, compound with pyridine (1:1)
SpectraBase Compound ID LaJGLLcHIgL
InChI InChI=1S/C8H8O5S.C5H5N/c9-8(10)7(14(11,12)13)6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5,7H,(H,9,10)(H,11,12,13);1-5H
InChIKey VZNIEAWDOZTZJN-UHFFFAOYSA-N
Mol Weight 295.31 g/mol
Molecular Formula C13H13NO5S
Exact Mass 295.051444 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ExAr6cgdIb7
Name PHENYLSULFOACETIC ACID, COMPOUND WITH PYRIDINE (1:1)
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8O5S C5H5N
InChI InChI=1S/C8H8O5S.C5H5N/c9-8(10)7(14(11,12)13)6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5,7H,(H,9,10)(H,11,12,13);1-5H
InChIKey VZNIEAWDOZTZJN-UHFFFAOYSA-N
Molecular Weight 295.32
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Varian CFT-20