| SpectraBase Spectrum ID |
Kf1KFE4k5vt |
| Name |
(1,1,1-Trifluoro-3-oxo-3-phenylpropan-2-yl) benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.066028700 u |
| Formula |
C16H11F3O3 |
| InChI |
InChI=1S/C16H11F3O3/c17-16(18,19)14(13(20)11-7-3-1-4-8-11)22-15(21)12-9-5-2-6-10-12/h1-10,14H |
| InChIKey |
LMUWFLJMHATKIP-UHFFFAOYSA-N |
| Molecular Weight |
308.256 g/mol |
| SMILES |
C(C(C(F)(F)F)OC(C=1C=CC=CC1)=O)(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928235 |
