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 |