| SpectraBase Spectrum ID |
LneerIkNUbl |
| Name |
L-Phenylalanine, N-propoxycarbonyl-, pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.194008349 u |
| Formula |
C18H27NO4 |
| InChI |
InChI=1S/C18H27NO4/c1-3-5-9-13-22-17(20)16(19-18(21)23-12-4-2)14-15-10-7-6-8-11-15/h6-8,10-11,16H,3-5,9,12-14H2,1-2H3,(H,19,21) |
| InChIKey |
NWNIQOGGZJDKPQ-UHFFFAOYSA-N |
| Molecular Weight |
321.417 g/mol |
| SMILES |
CCCOC(NC(C(OCCCCC)=O)CC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97284 |
