| SpectraBase Spectrum ID |
HLm36lGr0G |
| Name |
L-Alanine, N-(4-trifluoromethylbenzoyl)-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.092577801 u |
| Formula |
C13H14F3NO3 |
| InChI |
InChI=1S/C13H14F3NO3/c1-3-20-12(19)8(2)17-11(18)9-4-6-10(7-5-9)13(14,15)16/h4-8H,3H2,1-2H3,(H,17,18) |
| InChIKey |
GWHIAFUTEIQALU-UHFFFAOYSA-N |
| Molecular Weight |
289.254 g/mol |
| SMILES |
C1=CC(=CC=C1C(NC(C)C(=O)OCC)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95085 |
