SpectraBase Spectrum ID |
2XxeDhgEs0j |
Name |
Glycine, N-benzyloxycarbonyl-, pentyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
279.147058156 u |
Formula |
C15H21NO4 |
InChI |
InChI=1S/C15H21NO4/c1-2-3-7-10-19-14(17)11-16-15(18)20-12-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3,(H,16,18) |
InChIKey |
XXGWFTXHOSLDSB-UHFFFAOYSA-N |
Molecular Weight |
279.336 g/mol |
SMILES |
CCCCCOC(CNC(OCC1=CC=CC=C1)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904963 |