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3-Phenyl-4-(toluene-4-sulfonylamino)-butyric acid
SpectraBase Compound ID 1MT3tB35gFM
InChI InChI=1S/C17H19NO4S/c1-13-7-9-16(10-8-13)23(21,22)18-12-15(11-17(19)20)14-5-3-2-4-6-14/h2-10,15,18H,11-12H2,1H3,(H,19,20)
InChIKey DHRRCYAVDBAGPN-UHFFFAOYSA-N
Mol Weight 333.4 g/mol
Molecular Formula C17H19NO4S
Exact Mass 333.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rV6JDiaH1P
Name 3-Phenyl-4-(toluene-4-sulfonylamino)-butyric acid
Alternate Name(s) 3-Phenyl-4-(p-tolylsulfonylamino)butanoic acid 3-Phenyl-4-(tosylamino)butyric acid 4-[(4-methylphenyl)sulfonylamino]-3-phenyl-butanoic acid
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Formula C17H19NO4S
InChI InChI=1S/C17H19NO4S/c1-13-7-9-16(10-8-13)23(21,22)18-12-15(11-17(19)20)14-5-3-2-4-6-14/h2-10,15,18H,11-12H2,1H3,(H,19,20)
InChIKey DHRRCYAVDBAGPN-UHFFFAOYSA-N
Molecular Weight 333.402 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)CC(CC(=O)O)c1ccccc1
SPLASH splash10-0a5c-6900000000-4f0859f120293c86836e
Wiley ID 1447186