| SpectraBase Spectrum ID |
4pVEci4Yazs |
| Name |
2-Hexenoic acid, 2-(benzoylamino)-6,6,6-trifluoro-, ethyl ester, (Z)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.108227865 u |
| Formula |
C15H16F3NO3 |
| InChI |
InChI=1S/C15H16F3NO3/c1-2-22-14(21)12(9-6-10-15(16,17)18)19-13(20)11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,19,20)/b12-9- |
| InChIKey |
LSNHYDOYNKTYLL-XFXZXTDPSA-N |
| Molecular Weight |
315.292 g/mol |
| SMILES |
C(N\C(C(=O)OCC)=C\CCC(F)(F)F)(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838664 |
