2-Amino-4-[(2,5-dichlorophenyl)carbamoyl]benzoic acid, methyl ester

SpectraBase Compound ID	Hy7Ow4J44te
InChI	InChI=1S/C15H12Cl2N2O3/c1-22-15(21)10-4-2-8(6-12(10)18)14(20)19-13-7-9(16)3-5-11(13)17/h2-7H,18H2,1H3,(H,19,20)
InChIKey	SQYUJKVKVFILNB-UHFFFAOYSA-N Google Search
Mol Weight	339.18 g/mol
Molecular Formula	C15H12Cl2N2O3
Exact Mass	338.022498 g/mol

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SpectraBase Spectrum ID	1NqD8COufls
Name	2-Amino-4-[(2,5-dichlorophenyl)carbamoyl]benzoic acid, methyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	338.022497651 u
Formula	C15H12Cl2N2O3
InChI	InChI=1S/C15H12Cl2N2O3/c1-22-15(21)10-4-2-8(6-12(10)18)14(20)19-13-7-9(16)3-5-11(13)17/h2-7H,18H2,1H3,(H,19,20)
InChIKey	SQYUJKVKVFILNB-UHFFFAOYSA-N
Molecular Weight	339.178 g/mol
SMILES	C1(Cl)=C(C=C(C=C1)Cl)NC(=O)C1=CC(=C(C=C1)C(=O)OC)N
Spectrum/Structure Validation Score (Vapor Phase IR)	0.930348