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N-[2-(p-tolyloxy)nicotinoyl]glycine, methyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

N-[2-(p-tolyloxy)nicotinoyl]glycine, methyl ester
SpectraBase Compound ID 7ST0V2uUn8M
InChI InChI=1S/C16H16N2O4/c1-11-5-7-12(8-6-11)22-16-13(4-3-9-17-16)15(20)18-10-14(19)21-2/h3-9H,10H2,1-2H3,(H,18,20)
InChIKey QQYLTRQTMHFTKN-UHFFFAOYSA-N
Mol Weight 300.31 g/mol
Molecular Formula C16H16N2O4
Exact Mass 300.111007 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JSFhXC7d0KW
Name N-[2-(p-Tolyloxy)nicotinoyl]glycine, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.111006999 u
Formula C16H16N2O4
InChI InChI=1S/C16H16N2O4/c1-11-5-7-12(8-6-11)22-16-13(4-3-9-17-16)15(20)18-10-14(19)21-2/h3-9H,10H2,1-2H3,(H,18,20)
InChIKey QQYLTRQTMHFTKN-UHFFFAOYSA-N
Molecular Weight 300.314 g/mol
SMILES N(C(C=1C(=NC=CC1)OC=1C=CC(=CC1)C)=O)CC(OC)=O
Spectrum/Structure Validation Score (Raman) 0.870391