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Glycine, N-(4-ethylbenzoyl)-, ethyl ester

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

Glycine, N-(4-ethylbenzoyl)-, ethyl ester
SpectraBase Compound ID 74AOYmt4xYr
InChI InChI=1S/C13H17NO3/c1-3-10-5-7-11(8-6-10)13(16)14-9-12(15)17-4-2/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChIKey HJIXCAQXAVOZIU-UHFFFAOYSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DNtvMIlFiCg
Name Glycine, N-(4-ethylbenzoyl)-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.120843408 u
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-3-10-5-7-11(8-6-10)13(16)14-9-12(15)17-4-2/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChIKey HJIXCAQXAVOZIU-UHFFFAOYSA-N
Molecular Weight 235.283 g/mol
SMILES C1=CC(=CC=C1C(NCC(OCC)=O)=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902237