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2-(4-Acetylamino-benzenesulfonylamino)-butyric acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-(4-Acetylamino-benzenesulfonylamino)-butyric acid
SpectraBase Compound ID EieLwgH4E5N
InChI InChI=1S/C12H16N2O5S/c1-3-11(12(16)17)14-20(18,19)10-6-4-9(5-7-10)13-8(2)15/h4-7,11,14H,3H2,1-2H3,(H,13,15)(H,16,17)
InChIKey DERCDELOZKOELA-UHFFFAOYSA-N
Mol Weight 300.33 g/mol
Molecular Formula C12H16N2O5S
Exact Mass 300.077993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2bZx8opySZ0
Name 2-(4-Acetylamino-benzenesulfonylamino)-butyric acid
Alternate Name(s) 2-(([4-(Acetylamino)phenyl]sulfonyl)amino)butanoic acid 2-[(4-acetamidophenyl)sulfonylamino]butanoic acid 2-[(4-acetamidophenyl)sulfonylamino]butyric acid
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Formula C12H16N2O5S
InChI InChI=1S/C12H16N2O5S/c1-3-11(12(16)17)14-20(18,19)10-6-4-9(5-7-10)13-8(2)15/h4-7,11,14H,3H2,1-2H3,(H,13,15)(H,16,17)
InChIKey DERCDELOZKOELA-UHFFFAOYSA-N
Molecular Weight 300.329 g/mol
SMILES N(S(c1ccc(NC(=O)C)cc1)(=O)=O)C(C(=O)O)CC
SPLASH splash10-0005-5920000000-c01d59b6174f61b2b041
Wiley ID 1446428