| SpectraBase Spectrum ID |
4tkSkFbS2ic |
| Name |
L-Phenylalanine, N-ethoxycarbonyl-, pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.178358285 u |
| Formula |
C17H25NO4 |
| InChI |
InChI=1S/C17H25NO4/c1-3-5-9-12-22-16(19)15(18-17(20)21-4-2)13-14-10-7-6-8-11-14/h6-8,10-11,15H,3-5,9,12-13H2,1-2H3,(H,18,20) |
| InChIKey |
ZMXCKMXCTKLATA-UHFFFAOYSA-N |
| Molecular Weight |
307.390 g/mol |
| SMILES |
CCOC(NC(C(OCCCCC)=O)CC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923125 |
