| SpectraBase Spectrum ID |
B4EKPI9OO7g |
| Name |
Cyclopropanecarboxylic acid, trans-2-phenyl-, 1,1,1-trifluoroprop-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.086764146 u |
| Formula |
C13H13F3O2 |
| InChI |
InChI=1S/C13H13F3O2/c1-8(13(14,15)16)18-12(17)11-7-10(11)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3 |
| InChIKey |
JHAXCIFZEDXPAR-UHFFFAOYSA-N |
| Molecular Weight |
258.240 g/mol |
| SMILES |
C1C(C2=CC=CC=C2)C1C(OC(C)C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904663 |
