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Benzoic acid, 2-(benzylcarbonylamino)-, methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Benzoic acid, 2-(benzylcarbonylamino)-, methyl ester
SpectraBase Compound ID HH9tJD0ETmQ
InChI InChI=1S/C16H15NO3/c1-20-16(19)13-9-5-6-10-14(13)17-15(18)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,18)
InChIKey DGQTYMKCRDJXGM-UHFFFAOYSA-N
Mol Weight 269.3 g/mol
Molecular Formula C16H15NO3
Exact Mass 269.105193 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AF58xWNiJhH
Name Benzoic acid, 2-(benzylcarbonylamino)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.105193344 u
Formula C16H15NO3
InChI InChI=1S/C16H15NO3/c1-20-16(19)13-9-5-6-10-14(13)17-15(18)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,18)
InChIKey DGQTYMKCRDJXGM-UHFFFAOYSA-N
Molecular Weight 269.300 g/mol
SMILES C1=CC=CC(=C1)CC(=O)NC1=CC=CC=C1C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941544