| SpectraBase Spectrum ID |
7LVjRBtqWxx |
| Name |
(+)-3-phenyl-5-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.055464017 u |
| Formula |
C15H9F3O2 |
| InChI |
InChI=1S/C15H9F3O2/c16-15(17,18)10-6-7-11-12(8-10)13(20-14(11)19)9-4-2-1-3-5-9/h1-8,13H |
| InChIKey |
KRUFLCQZAIFNIO-UHFFFAOYSA-N |
| Molecular Weight |
278.230 g/mol |
| SMILES |
C1(OC(C=2C1=CC=C(C2)C(F)(F)F)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916814 |
