| SpectraBase Spectrum ID |
FrRYunlAD3V |
| Name |
Benzeneethanamine, N-trifluoroacetyl-.alpha.-methoxycarbonyl-4-hydroxy-3-trifluoromethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.059226812 u |
| Formula |
C13H11F6NO4 |
| InChI |
InChI=1S/C13H11F6NO4/c1-24-10(22)8(20-11(23)13(17,18)19)5-6-2-3-9(21)7(4-6)12(14,15)16/h2-4,8,21H,5H2,1H3,(H,20,23) |
| InChIKey |
FOLINAFXSPYFHO-UHFFFAOYSA-N |
| Molecular Weight |
359.224 g/mol |
| SMILES |
C1(=CC(=C(C=C1)O)C(F)(F)F)CC(NC(=O)C(F)(F)F)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855494 |
