| SpectraBase Spectrum ID |
6lIQj6kgLWa |
| Name |
3-Trifluoromethylbenzoic acid, cyclobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.071114081 u |
| Formula |
C12H11F3O2 |
| InChI |
InChI=1S/C12H11F3O2/c13-12(14,15)9-4-1-3-8(7-9)11(16)17-10-5-2-6-10/h1,3-4,7,10H,2,5-6H2 |
| InChIKey |
ZVJQRGWNVRGCDH-UHFFFAOYSA-N |
| Molecular Weight |
244.213 g/mol |
| SMILES |
C(C1=CC=CC(=C1)C(OC1CCC1)=O)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832362 |
