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D-Allylglycine, N-neopentyloxycarbonyl-, ethyl ester

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D-Allylglycine, N-neopentyloxycarbonyl-, ethyl ester
SpectraBase Compound ID LupA5UytMYT
InChI InChI=1S/C13H23NO4/c1-6-8-10(11(15)17-7-2)14-12(16)18-9-13(3,4)5/h6,10H,1,7-9H2,2-5H3,(H,14,16)
InChIKey AWKLAOZEWMDIRF-UHFFFAOYSA-N
Mol Weight 257.33 g/mol
Molecular Formula C13H23NO4
Exact Mass 257.162708 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1mKCUvBRaD0
Name D-Allylglycine, N-neopentyloxycarbonyl-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.162708221 u
Formula C13H23NO4
InChI InChI=1S/C13H23NO4/c1-6-8-10(11(15)17-7-2)14-12(16)18-9-13(3,4)5/h6,10H,1,7-9H2,2-5H3,(H,14,16)
InChIKey AWKLAOZEWMDIRF-UHFFFAOYSA-N
Molecular Weight 257.330 g/mol
SMILES CCOC(C(NC(OCC(C)(C)C)=O)CC=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94193