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Benzoic acid, 3-amino-5-(aminosulfonyl)-, methyl ester

View entire compound with spectra: 1 MS (GC)

Benzoic acid, 3-amino-5-(aminosulfonyl)-, methyl ester
SpectraBase Compound ID LAr3rIYv0sO
InChI InChI=1S/C8H10N2O4S/c1-14-8(11)5-2-6(9)4-7(3-5)15(10,12)13/h2-4H,9H2,1H3,(H2,10,12,13)
InChIKey PBVOAGCXAWOXNV-UHFFFAOYSA-N
Mol Weight 230.24 g/mol
Molecular Formula C8H10N2O4S
Exact Mass 230.036128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BZft3bgNkn
Name Benzoic acid, 3-amino-5-(aminosulfonyl)-, methyl ester
Alternate Name(s) Methyl 3-amino-5-sulfamoylbenzoate 3-Amino-5-sulfamoylbenzoic acid methyl ester Methyl 3-amino-5-sulfamoyl-benzoate Methyl 3-azanyl-5-sulfamoyl-benzoate
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Formula C8H10N2O4S
InChI InChI=1S/C8H10N2O4S/c1-14-8(11)5-2-6(9)4-7(3-5)15(10,12)13/h2-4H,9H2,1H3,(H2,10,12,13)
InChIKey PBVOAGCXAWOXNV-UHFFFAOYSA-N
Molecular Weight 230.238 g/mol
SMILES Nc1cc(S(N)(=O)=O)cc(c1)C(OC)=O
SPLASH splash10-0btc-9500000000-e0d7a420728315497c3d
Source of Spectrum JX-2015-0-854
Wiley ID 1720740