3-Nitro-4-[(2-phenylethyl)amino]-5-sulfamoylbenzoic Acid

SpectraBase Compound ID	JYT1VrDRnVr
InChI	InChI=1S/C15H15N3O6S/c16-25(23,24)13-9-11(15(19)20)8-12(18(21)22)14(13)17-7-6-10-4-2-1-3-5-10/h1-5,8-9,17H,6-7H2,(H,19,20)(H2,16,23,24)
InChIKey	YLHVPQFLGHZDTN-UHFFFAOYSA-N Google Search
Mol Weight	365.36 g/mol
Molecular Formula	C15H15N3O6S
Exact Mass	365.068156 g/mol

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SpectraBase Spectrum ID	Fedhs6tSygw
Name	3-Nitro-4-[(2-phenylethyl)amino]-5-sulfamoylbenzoic Acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C15H15N3O6S
InChI	InChI=1S/C15H15N3O6S/c16-25(23,24)13-9-11(15(19)20)8-12(18(21)22)14(13)17-7-6-10-4-2-1-3-5-10/h1-5,8-9,17H,6-7H2,(H,19,20)(H2,16,23,24)
InChIKey	YLHVPQFLGHZDTN-UHFFFAOYSA-N
Literature Reference DOI	10.1002/cbdv.201200322
Molecular Weight	365.360 g/mol
SMILES	NS(c1cc(cc(c1NCCc1ccccc1)[N+](=O)[O-])C(=O)O)(=O)=O
SPLASH	splash10-05fv-4190000000-917ec08af43a2a9a1871
Source of Spectrum	CBD-9-2519-4b
Synonyms	3-Nitro-4-(phenethylamino)-5-sulfamoylbenzoic acid 3-Nitro-4-(2-phenylethylamino)-5-sulfamoylbenzoic acid 3-Nitro-4-(2-phenylethylamino)-5-sulfamoyl-benzoic acid
Wiley ID	1771111