| SpectraBase Spectrum ID |
KwEOzkzjX84 |
| Name |
3-[4-(Trifluoromethyl)phenyl]chroman-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.071114081 u |
| Formula |
C16H11F3O2 |
| InChI |
InChI=1S/C16H11F3O2/c17-16(18,19)11-7-5-10(6-8-11)13-9-21-14-4-2-1-3-12(14)15(13)20/h1-8,13H,9H2 |
| InChIKey |
GHQXDYKJXNHFKS-UHFFFAOYSA-N |
| Molecular Weight |
292.257 g/mol |
| SMILES |
C1C(C(C=2C=CC=CC2O1)=O)C=1C=CC(=CC1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951214 |
![3-[4-(Trifluoromethyl)phenyl]chroman-4-one](/api/spectrum/KwEOzkzjX84/structure.png?h=300&w=458 "3-[4-(Trifluoromethyl)phenyl]chroman-4-one")
