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Asparagine, N-benzyl-, methyl ester

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

Asparagine, N-benzyl-, methyl ester
SpectraBase Compound ID 4Jehw6Idsrg
InChI InChI=1S/C12H16N2O3/c1-17-12(16)10(13)7-11(15)14-8-9-5-3-2-4-6-9/h2-6,10H,7-8,13H2,1H3,(H,14,15)
InChIKey MUJCGOQOFJQDKD-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C12H16N2O3
Exact Mass 236.116092 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HJyv13l3TpK
Name Asparagine, N-benzyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.116092380 u
Formula C12H16N2O3
InChI InChI=1S/C12H16N2O3/c1-17-12(16)10(13)7-11(15)14-8-9-5-3-2-4-6-9/h2-6,10H,7-8,13H2,1H3,(H,14,15)
InChIKey MUJCGOQOFJQDKD-UHFFFAOYSA-N
Molecular Weight 236.271 g/mol
SMILES C(=O)(CC(C(OC)=O)N)NCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885434