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D-Allylglycine, N-benzyloxycarbonyl-, propyl ester
SpectraBase Compound ID HdmDxzdCZiv
InChI InChI=1S/C16H21NO4/c1-3-8-14(15(18)20-11-4-2)17-16(19)21-12-13-9-6-5-7-10-13/h3,5-7,9-10,14H,1,4,8,11-12H2,2H3,(H,17,19)
InChIKey IPLPGGRVWZIEKN-UHFFFAOYSA-N
Mol Weight 291.35 g/mol
Molecular Formula C16H21NO4
Exact Mass 291.147058 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ehmx8nkuE5p
Name D-Allylglycine, N-benzyloxycarbonyl-, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.147058156 u
Formula C16H21NO4
InChI InChI=1S/C16H21NO4/c1-3-8-14(15(18)20-11-4-2)17-16(19)21-12-13-9-6-5-7-10-13/h3,5-7,9-10,14H,1,4,8,11-12H2,2H3,(H,17,19)
InChIKey IPLPGGRVWZIEKN-UHFFFAOYSA-N
SMILES C(NC(OCC1=CC=CC=C1)=O)(C(=O)OCCC)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960828