| SpectraBase Compound ID | 36i23amUIm0 |
|---|---|
| InChI | InChI=1S/C20H12BrFO4/c21-17-12-13(22)10-11-18(17)26-20(24)16-9-5-4-8-15(16)19(23)25-14-6-2-1-3-7-14/h1-12H |
| InChIKey | PQKNGXMMYZZNSB-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 | IgxHtuIjFV3 |
|---|---|
| Name | Phthalic acid, 2-bromo-4-fluorophenyl phenyl ester |
| 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/c21-17-12-13(22)10-11-18(17)26-20(24)16-9-5-4-8-15(16)19(23)25-14-6-2-1-3-7-14/h1-12H |
| InChIKey | PQKNGXMMYZZNSB-UHFFFAOYSA-N |
| Molecular Weight | 415.214 g/mol |
| SMILES | C(OC1=CC=C(C=C1Br)F)(=O)C1=C(C=CC=C1)C(OC1=CC=CC=C1)=O |