| SpectraBase Spectrum ID |
6fpBZf2WtmT |
| Name |
2-Phenyl-3-[4-(trifluoromethyl)phenyl]-1H-inden-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.091849527 u |
| Formula |
C22H13F3O |
| InChI |
InChI=1S/C22H13F3O/c23-22(24,25)16-12-10-15(11-13-16)19-17-8-4-5-9-18(17)21(26)20(19)14-6-2-1-3-7-14/h1-13H |
| InChIKey |
WLNHCFKSAQEBNL-UHFFFAOYSA-N |
| Molecular Weight |
350.340 g/mol |
| SMILES |
C1(C(=C(C=2C=CC=CC12)C=1C=CC(=CC1)C(F)(F)F)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829153 |
