| SpectraBase Compound ID | LtbRrYtalal |
|---|---|
| InChI | InChI=1S/C20H12BrClO4/c21-13-5-9-15(10-6-13)25-19(23)17-3-1-2-4-18(17)20(24)26-16-11-7-14(22)8-12-16/h1-12H |
| InChIKey | GNPPBSNHGXCLNX-UHFFFAOYSA-N |
| Mol Weight | 431.67 g/mol |
| Molecular Formula | C20H12BrClO4 |
| Exact Mass | 429.96075 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5DjPxHWG6h |
|---|---|
| Name | Phthalic acid, 4-bromophenyl 4-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 429.960749562 u |
| Formula | C20H12BrClO4 |
| InChI | InChI=1S/C20H12BrClO4/c21-13-5-9-15(10-6-13)25-19(23)17-3-1-2-4-18(17)20(24)26-16-11-7-14(22)8-12-16/h1-12H |
| InChIKey | GNPPBSNHGXCLNX-UHFFFAOYSA-N |
| Molecular Weight | 431.669 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC1=CC=C(C=C1)Cl)=O)C(OC1=CC=C(C=C1)Br)=O |