| SpectraBase Spectrum ID |
Hcpts4c7nXr |
| Name |
1,3-Benzenediol, o-(3-trifluoromethylbenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.050378636 u |
| Formula |
C14H9F3O3 |
| InChI |
InChI=1S/C14H9F3O3/c15-14(16,17)10-4-1-3-9(7-10)13(19)20-12-6-2-5-11(18)8-12/h1-8,18H |
| InChIKey |
XXQGSEGFJQHDJZ-UHFFFAOYSA-N |
| Molecular Weight |
282.218 g/mol |
| SMILES |
C1=C(C=CC=C1O)OC(=O)C1=CC(=CC=C1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907252 |
