| SpectraBase Compound ID | H6ouL3GNgrI |
|---|---|
| InChI | InChI=1S/C20H24Br2O5/c21-9-11-24-17-5-1-3-7-19(17)26-15-13-23-14-16-27-20-8-4-2-6-18(20)25-12-10-22/h1-8H,9-16H2 |
| InChIKey | CDAMGVPHMZFQGE-UHFFFAOYSA-N |
| Mol Weight | 504.22 g/mol |
| Molecular Formula | C20H24Br2O5 |
| Exact Mass | 501.99905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EP7bDWaHXup |
|---|---|
| Name | Dibromide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 501.999049868 u |
| Formula | C20H24Br2O5 |
| InChI | InChI=1S/C20H24Br2O5/c21-9-11-24-17-5-1-3-7-19(17)26-15-13-23-14-16-27-20-8-4-2-6-18(20)25-12-10-22/h1-8H,9-16H2 |
| InChIKey | CDAMGVPHMZFQGE-UHFFFAOYSA-N |
| Molecular Weight | 504.215 g/mol |
| SMILES | C1(=C(OCCBr)C=CC=C1)OCCOCCOC1=C(OCCBr)C=CC=C1 |