| SpectraBase Spectrum ID |
HfB1RkiKS17 |
| Name |
L-Phenylalanine, N-(2,6-difluorobenzoyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.101999670 u |
| Formula |
C17H15F2NO3 |
| InChI |
InChI=1S/C17H15F2NO3/c1-23-17(22)14(10-11-6-3-2-4-7-11)20-16(21)15-12(18)8-5-9-13(15)19/h2-9,14H,10H2,1H3,(H,20,21) |
| InChIKey |
JAKBXLAQIOZZHD-UHFFFAOYSA-N |
| Molecular Weight |
319.308 g/mol |
| SMILES |
C1=CC=CC(=C1)CC(C(OC)=O)NC(=O)C1=C(C=CC=C1F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84795 |
