4-[(3,4-Dimethoxybenzyl)amino]-3-nitro-5-sulfamoylbenzoic Acid

SpectraBase Compound ID	DfTXJjVcsfC
InChI	InChI=1S/C16H17N3O8S/c1-26-12-4-3-9(5-13(12)27-2)8-18-15-11(19(22)23)6-10(16(20)21)7-14(15)28(17,24)25/h3-7,18H,8H2,1-2H3,(H,20,21)(H2,17,24,25)
InChIKey	TTWHXOJKSMZBOK-UHFFFAOYSA-N Google Search
Mol Weight	411.39 g/mol
Molecular Formula	C16H17N3O8S
Exact Mass	411.073636 g/mol

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SpectraBase Spectrum ID	61bKkGmgpLQ
Name	4-[(3,4-Dimethoxybenzyl)amino]-3-nitro-5-sulfamoylbenzoic Acid
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H17N3O8S
InChI	InChI=1S/C16H17N3O8S/c1-26-12-4-3-9(5-13(12)27-2)8-18-15-11(19(22)23)6-10(16(20)21)7-14(15)28(17,24)25/h3-7,18H,8H2,1-2H3,(H,20,21)(H2,17,24,25)
InChIKey	TTWHXOJKSMZBOK-UHFFFAOYSA-N
Literature Reference DOI	10.1002/cbdv.201200322
Molecular Weight	411.385 g/mol
SMILES	NS(c1cc(cc(c1NCc1cc(c(cc1)OC)OC)[N+](=O)[O-])C(=O)O)(=O)=O
SPLASH	splash10-0w29-0930200000-e6c558d24b684163826d
Source of Spectrum	CBD-9-2521-4j
Synonyms	4-((3,4-dimethoxybenzyl)amino)-3-nitro-5-sulfamoylbenzoic acid
Wiley ID	1771114