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L-Allylglycine, N-isobutoxycarbonyl-, ethyl ester

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

L-Allylglycine, N-isobutoxycarbonyl-, ethyl ester
SpectraBase Compound ID 3AQgnKXdXfZ
InChI InChI=1S/C12H21NO4/c1-5-7-10(11(14)16-6-2)13-12(15)17-8-9(3)4/h5,9-10H,1,6-8H2,2-4H3,(H,13,15)
InChIKey PGBCRDCSNMVUDF-UHFFFAOYSA-N
Mol Weight 243.3 g/mol
Molecular Formula C12H21NO4
Exact Mass 243.147058 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AohbUbESzan
Name L-Allylglycine, N-isobutoxycarbonyl-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.147058156 u
Formula C12H21NO4
InChI InChI=1S/C12H21NO4/c1-5-7-10(11(14)16-6-2)13-12(15)17-8-9(3)4/h5,9-10H,1,6-8H2,2-4H3,(H,13,15)
InChIKey PGBCRDCSNMVUDF-UHFFFAOYSA-N
Molecular Weight 243.303 g/mol
SMILES C(COC(=O)NC(CC=C)C(OCC)=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894753