| SpectraBase Spectrum ID |
IAwwD4xJIHV |
| Name |
2-(4-(Trifluoromethyl)phenyl)-4H-chromen-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.055464017 u |
| Formula |
C16H9F3O2 |
| InChI |
InChI=1S/C16H9F3O2/c17-16(18,19)11-7-5-10(6-8-11)15-9-13(20)12-3-1-2-4-14(12)21-15/h1-9H |
| InChIKey |
XISMXQJXDBDZSJ-UHFFFAOYSA-N |
| Molecular Weight |
290.241 g/mol |
| SMILES |
C1=CC=C2C(=C1)C(C=C(C1=CC=C(C=C1)C(F)(F)F)O2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955292 |
