| SpectraBase Spectrum ID |
89BE4JPiIBi |
| Name |
1,2-Benzenediol, o-(2,3,4-trifluorobenzoyl)-o'-(2-phenylacetyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.076593384 u |
| Formula |
C21H13F3O4 |
| InChI |
InChI=1S/C21H13F3O4/c22-15-11-10-14(19(23)20(15)24)21(26)28-17-9-5-4-8-16(17)27-18(25)12-13-6-2-1-3-7-13/h1-11H,12H2 |
| InChIKey |
VVYOXSOYRBDIJQ-UHFFFAOYSA-N |
| Molecular Weight |
386.326 g/mol |
| SMILES |
C1(=CC=CC=C1OC(=O)C1=CC=C(C(=C1F)F)F)OC(=O)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95177 |
