| SpectraBase Spectrum ID |
5xy1cHrEenV |
| Name |
1,2-Benzenediol, o-(2,6-difluorobenzoyl)-o'-(4-ethylbenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.101665317 u |
| Formula |
C22H16F2O4 |
| InChI |
InChI=1S/C22H16F2O4/c1-2-14-10-12-15(13-11-14)21(25)27-18-8-3-4-9-19(18)28-22(26)20-16(23)6-5-7-17(20)24/h3-13H,2H2,1H3 |
| InChIKey |
XJKXJPOCQPMSTR-UHFFFAOYSA-N |
| Molecular Weight |
382.363 g/mol |
| SMILES |
CCC1=CC=C(C(OC=2C(=CC=CC2)OC(C2=C(C=CC=C2F)F)=O)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850477 |
