p-[(p-Methoxybenzylidene)amino]hippuric acid, propyl ester

SpectraBase Compound ID	BHakhuLFACk
InChI	InChI=1S/C20H22N2O4/c1-3-12-26-19(23)14-22-20(24)16-6-8-17(9-7-16)21-13-15-4-10-18(25-2)11-5-15/h4-11,13H,3,12,14H2,1-2H3,(H,22,24)/b21-13+
InChIKey	HKCSXIZGPBZUGV-FYJGNVAPSA-N Google Search
Mol Weight	354.41 g/mol
Molecular Formula	C20H22N2O4
Exact Mass	354.157957 g/mol

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SpectraBase Spectrum ID	1VnlkfvKEM5
Name	p-[(p-Methoxybenzylidene)amino]hippuric acid, propyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	354.157957192 u
Formula	C20H22N2O4
InChI	InChI=1S/C20H22N2O4/c1-3-12-26-19(23)14-22-20(24)16-6-8-17(9-7-16)21-13-15-4-10-18(25-2)11-5-15/h4-11,13H,3,12,14H2,1-2H3,(H,22,24)/b21-13+
InChIKey	HKCSXIZGPBZUGV-FYJGNVAPSA-N
Molecular Weight	354.406 g/mol
SMILES	N(C(C=1C=CC(=CC1)\N=C\C1=CC=C(C=C1)OC)=O)CC(OCCC)=O
Spectrum/Structure Validation Score (Raman)	0.986252