| SpectraBase Spectrum ID |
H57zTA8bcT1 |
| Name |
L-Phenylalanine, N-allyloxycarbonyl-, pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.178358285 u |
| Formula |
C18H25NO4 |
| InChI |
InChI=1S/C18H25NO4/c1-3-5-9-13-22-17(20)16(19-18(21)23-12-4-2)14-15-10-7-6-8-11-15/h4,6-8,10-11,16H,2-3,5,9,12-14H2,1H3,(H,19,21) |
| InChIKey |
KXUWEASSAQPFON-UHFFFAOYSA-N |
| Molecular Weight |
319.401 g/mol |
| SMILES |
C=CCOC(NC(C(OCCCCC)=O)CC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933239 |
