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3-[(3-Carboxypropanoyl)amino]benzoic acid, N-methyl-, dimethyl ester

View entire compound with spectra: 1 FTIR

3-[(3-Carboxypropanoyl)amino]benzoic acid, N-methyl-, dimethyl ester
SpectraBase Compound ID 8O6GEmjgCZl
InChI InChI=1S/C14H17NO5/c1-15(12(16)7-8-13(17)19-2)11-6-4-5-10(9-11)14(18)20-3/h4-6,9H,7-8H2,1-3H3
InChIKey QCXNGABTSGKNEN-UHFFFAOYSA-N
Mol Weight 279.29 g/mol
Molecular Formula C14H17NO5
Exact Mass 279.110673 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DQ1eCOxMmba
Name 3-[(3-Carboxypropanoyl)amino]benzoic acid, N-methyl-, dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.110672646 u
Formula C14H17NO5
InChI InChI=1S/C14H17NO5/c1-15(12(16)7-8-13(17)19-2)11-6-4-5-10(9-11)14(18)20-3/h4-6,9H,7-8H2,1-3H3
InChIKey QCXNGABTSGKNEN-UHFFFAOYSA-N
SMILES C(N(C1=CC(C(OC)=O)=CC=C1)C)(CCC(OC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973605