| SpectraBase Compound ID | AhkxamTzl3g |
|---|---|
| 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 |
| Mol Weight | 415.21 g/mol |
| Molecular Formula | C20H12BrFO4 |
| Exact Mass | 413.9903 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 56Ojt72O4sQ |
|---|---|
| Name | 1,2-Benzendiol, o-(3-brombenzoyl)-o'-(2-fluorobenzoyl)- |
| Comments | Computed using HOSE algorithm |
| 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 |