| SpectraBase Spectrum ID |
BAYIwMIDthT |
| Name |
2-Benzylidene-5-trifluoroacetylcyclopentanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.071114081 u |
| Formula |
C14H11F3O2 |
| InChI |
InChI=1S/C14H11F3O2/c15-14(16,17)13(19)11-7-6-10(12(11)18)8-9-4-2-1-3-5-9/h1-5,8,11H,6-7H2/b10-8+ |
| InChIKey |
YHCQOFRNSGAFCX-CSKARUKUSA-N |
| Molecular Weight |
268.235 g/mol |
| SMILES |
C1(C(\C(=C\C=2C=CC=CC2)CC1)=O)C(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878994 |
