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Benzoic acid, 2-[(ethoxyoxoacetyl)amino]-, methyl ester

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

Benzoic acid, 2-[(ethoxyoxoacetyl)amino]-, methyl ester
SpectraBase Compound ID AHGqp6R7mLI
InChI InChI=1S/C12H13NO5/c1-3-18-12(16)10(14)13-9-7-5-4-6-8(9)11(15)17-2/h4-7H,3H2,1-2H3,(H,13,14)
InChIKey XYNVBHZKXLHYTK-UHFFFAOYSA-N
Mol Weight 251.24 g/mol
Molecular Formula C12H13NO5
Exact Mass 251.079373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LAu2dcNm01W
Name Benzoic acid, 2-[(ethoxyoxoacetyl)amino]-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.079372518 u
Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c1-3-18-12(16)10(14)13-9-7-5-4-6-8(9)11(15)17-2/h4-7H,3H2,1-2H3,(H,13,14)
InChIKey XYNVBHZKXLHYTK-UHFFFAOYSA-N
Molecular Weight 251.238 g/mol
SMILES C1(NC(=O)C(=O)OCC)=C(C=CC=C1)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904658