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L-Allylglycine, N-methoxycarbonyl-, ethyl ester

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

L-Allylglycine, N-methoxycarbonyl-, ethyl ester
SpectraBase Compound ID 9QJEK8JS7do
InChI InChI=1S/C9H15NO4/c1-4-6-7(8(11)14-5-2)10-9(12)13-3/h4,7H,1,5-6H2,2-3H3,(H,10,12)
InChIKey HVNDGJMWSVLECP-UHFFFAOYSA-N
Mol Weight 201.22 g/mol
Molecular Formula C9H15NO4
Exact Mass 201.100108 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GPsMmWvsokn
Name L-Allylglycine, N-methoxycarbonyl-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 201.100107963 u
Formula C9H15NO4
InChI InChI=1S/C9H15NO4/c1-4-6-7(8(11)14-5-2)10-9(12)13-3/h4,7H,1,5-6H2,2-3H3,(H,10,12)
InChIKey HVNDGJMWSVLECP-UHFFFAOYSA-N
Molecular Weight 201.222 g/mol
SMILES COC(NC(CC=C)C(OCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937566