| SpectraBase Spectrum ID |
L6i7EIMjuK5 |
| Name |
.beta.-Alanine, N-benzyloxycarbonyl-, pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
293.162708221 u |
| Formula |
C16H23NO4 |
| InChI |
InChI=1S/C16H23NO4/c1-2-3-7-12-20-15(18)10-11-17-16(19)21-13-14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-13H2,1H3,(H,17,19) |
| InChIKey |
YNRBIHVJWFYBBY-UHFFFAOYSA-N |
| SMILES |
C1=C(C=CC=C1)COC(NCCC(OCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852899 |
