| SpectraBase Spectrum ID |
Ccozooz1jcc |
| Name |
L-Phenylalanine, N-(4-fluorobenzoyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.111421539 u |
| Formula |
C17H16FNO3 |
| InChI |
InChI=1S/C17H16FNO3/c1-22-17(21)15(11-12-5-3-2-4-6-12)19-16(20)13-7-9-14(18)10-8-13/h2-10,15H,11H2,1H3,(H,19,20) |
| InChIKey |
NUEPYHOVUXEGDD-UHFFFAOYSA-N |
| Molecular Weight |
301.317 g/mol |
| SMILES |
C1=CC=C(C=C1)CC(C(OC)=O)NC(=O)C1=CC=C(C=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898587 |
