| SpectraBase Spectrum ID |
32L7sTRbun3 |
| Name |
L-Phenylalanine, N-methoxycarbonyl-, 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/c1-3-4-8-11-21-15(18)14(17-16(19)20-2)12-13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3,(H,17,19) |
| InChIKey |
ZDDFHEZLBQZHFT-UHFFFAOYSA-N |
| SMILES |
COC(NC(C(OCCCCC)=O)CC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941512 |
