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3-(4-Amino-phenyl)-2-(toluene-4-sulfonylamino)-propionic acid
SpectraBase Compound ID LWIktXwwJ9s
InChI InChI=1S/C16H18N2O4S/c1-11-2-8-14(9-3-11)23(21,22)18-15(16(19)20)10-12-4-6-13(17)7-5-12/h2-9,15,18H,10,17H2,1H3,(H,19,20)
InChIKey VVZFLNJFDDKRRM-UHFFFAOYSA-N
Mol Weight 334.39 g/mol
Molecular Formula C16H18N2O4S
Exact Mass 334.098728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5I1vCVopwC1
Name 3-(4-Amino-phenyl)-2-(toluene-4-sulfonylamino)-propionic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O4S
InChI InChI=1S/C16H18N2O4S/c1-11-2-8-14(9-3-11)23(21,22)18-15(16(19)20)10-12-4-6-13(17)7-5-12/h2-9,15,18H,10,17H2,1H3,(H,19,20)
InChIKey VVZFLNJFDDKRRM-UHFFFAOYSA-N
Molecular Weight 334.390 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C(Cc1ccc(cc1)N)C(=O)O
SPLASH splash10-0a4i-1900000000-e35a277037d26235b943
Source of Spectrum NP-11-9491-0
Synonyms 3-(4-aminophenyl)-2-(p-tolylsulfonylamino)propanoic acid 3-(4-aminophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
Wiley ID 1109989