| SpectraBase Spectrum ID |
KWkRNxPaeOx |
| Name |
L-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/c1-3-4-8-11-20-15(18)13(2)17-16(19)21-12-14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,17,19)/t13-/m0/s1 |
| InChIKey |
IGDPLPQUUDSYDL-ZDUSSCGKSA-N |
| SMILES |
CCCCCOC([C@@](NC(OCC1=CC=CC=C1)=O)(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894264 |
