| SpectraBase Compound ID | qiHV68vCcD |
|---|---|
| InChI | InChI=1S/C19H26Br2O2/c1-18-8-7-12-10(11(18)5-6-15(18)22)3-4-13-16(21)17(23)14(20)9-19(12,13)2/h10-14,16H,3-9H2,1-2H3 |
| InChIKey | VPJQKYVRISQHDC-UHFFFAOYSA-N |
| Mol Weight | 446.22 g/mol |
| Molecular Formula | C19H26Br2O2 |
| Exact Mass | 444.029956 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FxjvG6WRidt |
|---|---|
| Name | 2,4-Dibromoetiochola-3,17-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 444.029956075 u |
| Formula | C19H26Br2O2 |
| InChI | InChI=1S/C19H26Br2O2/c1-18-8-7-12-10(11(18)5-6-15(18)22)3-4-13-16(21)17(23)14(20)9-19(12,13)2/h10-14,16H,3-9H2,1-2H3 |
| InChIKey | VPJQKYVRISQHDC-UHFFFAOYSA-N |
| Molecular Weight | 446.223 g/mol |
| SMILES | C1(C(CC2(C(C1Br)CCC1C2CCC2(C1CCC2=O)C)C)Br)=O |