| SpectraBase Compound ID | 2Aho9f4UmmE |
|---|---|
| InChI | InChI=1S/C21H15BrO4/c1-14-5-4-6-17(13-14)26-21(24)19-8-3-2-7-18(19)20(23)25-16-11-9-15(22)10-12-16/h2-13H,1H3 |
| InChIKey | VWAUSCBBERVBKP-UHFFFAOYSA-N |
| Mol Weight | 411.25 g/mol |
| Molecular Formula | C21H15BrO4 |
| Exact Mass | 410.015372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2VAi8CXQTjD |
|---|---|
| Name | Phthalic acid, 4-bromophenyl 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.015371959 u |
| Formula | C21H15BrO4 |
| InChI | InChI=1S/C21H15BrO4/c1-14-5-4-6-17(13-14)26-21(24)19-8-3-2-7-18(19)20(23)25-16-11-9-15(22)10-12-16/h2-13H,1H3 |
| InChIKey | VWAUSCBBERVBKP-UHFFFAOYSA-N |
| Molecular Weight | 411.251 g/mol |
| SMILES | C1=C(C(=CC=C1)C(OC1=CC(C)=CC=C1)=O)C(OC1=CC=C(C=C1)Br)=O |