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N-(p-sulfamoylphenyl)-beta-alanine, hydrate

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N-(p-sulfamoylphenyl)-beta-alanine, hydrate
SpectraBase Compound ID KhNuiPtxua5
InChI InChI=1S/C9H12N2O4S.H2O/c10-16(14,15)8-3-1-7(2-4-8)11-6-5-9(12)13;/h1-4,11H,5-6H2,(H,12,13)(H2,10,14,15);1H2
InChIKey WHUUYMGHCOPTCX-UHFFFAOYSA-N
Mol Weight 262.28 g/mol
Molecular Formula C9H14N2O5S
Exact Mass 262.062343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1okOauUBuDA
Name N-(p-SULFAMOYLPHENYL)-beta-ALANINE, HYDRATE
Source of Sample C. Hurd, Northwestern University, Evanston, Illinois
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N2O4S H2O
InChI InChI=1S/C9H12N2O4S.H2O/c10-16(14,15)8-3-1-7(2-4-8)11-6-5-9(12)13;/h1-4,11H,5-6H2,(H,12,13)(H2,10,14,15);1H2
InChIKey WHUUYMGHCOPTCX-UHFFFAOYSA-N
Melting Point 132-133C
Molecular Weight 262.29
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms B-ALANINE, N-/P-SULFAMOYLPHENYL/-, HYDRATE