| SpectraBase Compound ID | EoL7cOkfHho |
|---|---|
| InChI | InChI=1S/C20H12Br2O4/c21-15-4-8-17(9-5-15)25-19(23)13-2-1-3-14(12-13)20(24)26-18-10-6-16(22)7-11-18/h1-12H |
| InChIKey | YRQSTOFVOFEZDH-UHFFFAOYSA-N |
| Mol Weight | 476.12 g/mol |
| Molecular Formula | C20H12Br2O4 |
| Exact Mass | 473.910235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1GkrWx7b1OF |
|---|---|
| Name | Isophthalic acid, di(4-bromophenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 473.910234862 u |
| Formula | C20H12Br2O4 |
| InChI | InChI=1S/C20H12Br2O4/c21-15-4-8-17(9-5-15)25-19(23)13-2-1-3-14(12-13)20(24)26-18-10-6-16(22)7-11-18/h1-12H |
| InChIKey | YRQSTOFVOFEZDH-UHFFFAOYSA-N |
| Molecular Weight | 476.120 g/mol |
| SMILES | C1(=CC=C(C=C1)OC(C=1C=C(C(OC2=CC=C(C=C2)Br)=O)C=CC1)=O)Br |