| SpectraBase Spectrum ID |
IAbZ19ke4MS |
| Name |
1,3-Benzenediol, o-(3-bromobenzoyl)-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/c21-14-6-3-5-13(11-14)19(23)25-15-7-4-8-16(12-15)26-20(24)17-9-1-2-10-18(17)22/h1-12H |
| InChIKey |
MEHMKEHCVSXBGN-UHFFFAOYSA-N |
| Molecular Weight |
415.214 g/mol |
| SMILES |
C1(=CC(=CC=C1)OC(C1=CC=CC=C1F)=O)OC(=O)C1=CC(=CC=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946543 |
