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N-Carbobenzyloxy-L-o-methylthreonine methyl ester

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

N-Carbobenzyloxy-L-o-methylthreonine methyl ester
SpectraBase Compound ID 6U1VcJ7cwe3
InChI InChI=1S/C14H19NO5/c1-10(18-2)12(13(16)19-3)15-14(17)20-9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,17)
InChIKey RUNYPPWJZPKKII-UHFFFAOYSA-N
Mol Weight 281.31 g/mol
Molecular Formula C14H19NO5
Exact Mass 281.126323 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9SjcDwHWPWF
Name N-Carbobenzyloxy-L-o-methylthreonine methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.126322711 u
Formula C14H19NO5
InChI InChI=1S/C14H19NO5/c1-10(18-2)12(13(16)19-3)15-14(17)20-9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,17)
InChIKey RUNYPPWJZPKKII-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)COC(NC(C(C)OC)C(=O)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973313