| SpectraBase Spectrum ID |
1QQpnZZuLqr |
| Name |
1,2-Benzendiol, o-(3-brombenzoyl)-o'-(2-fluorobenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.990300025 u |
| Formula |
C20H12BrFO4 |
| InChI |
InChI=1S/C20H12BrFO4/c21-14-7-5-6-13(12-14)19(23)25-17-10-3-4-11-18(17)26-20(24)15-8-1-2-9-16(15)22/h1-12H |
| InChIKey |
VFVVIFCLJIAQLD-UHFFFAOYSA-N |
| Molecular Weight |
415.214 g/mol |
| SMILES |
C1(=CC=CC=C1OC(=O)C1=CC(=CC=C1)Br)OC(C1=CC=CC=C1F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957538 |
