| SpectraBase Spectrum ID |
3g5NUELIzol |
| Name |
1,3-Benzenediol, o-cyclopropanecarbonyl-o'-(2-trifluoromethylbenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.076593384 u |
| Formula |
C18H13F3O4 |
| InChI |
InChI=1S/C18H13F3O4/c19-18(20,21)15-7-2-1-6-14(15)17(23)25-13-5-3-4-12(10-13)24-16(22)11-8-9-11/h1-7,10-11H,8-9H2 |
| InChIKey |
QWKFDQBDSYYIJI-UHFFFAOYSA-N |
| Molecular Weight |
350.293 g/mol |
| SMILES |
C1(=CC(=CC=C1)OC(=O)C1=C(C=CC=C1)C(F)(F)F)OC(C1CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837596 |
