| SpectraBase Compound ID | Ff0gDKNKrYc |
|---|---|
| InChI | InChI=1S/C20H31BrO4/c1-3-4-5-6-7-9-17-14-18(17)11-12-20(23)24-13-8-10-19(21)15-25-16(2)22/h8,10,13,17-18H,3-7,9,11-12,14-15H2,1-2H3/b13-8+,19-10-/t17-,18-/m0/s1 |
| InChIKey | IGWLQLNRNKKQCR-PDPHMGKHSA-N |
| Mol Weight | 415.37 g/mol |
| Molecular Formula | C20H31BrO4 |
| Exact Mass | 414.140572 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6ufs8yZge |
|---|---|
| Name | Grenadadiene |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H31BrO4 |
| InChI | InChI=1S/C20H31BrO4/c1-3-4-5-6-7-9-17-14-18(17)11-12-20(23)24-13-8-10-19(21)15-25-16(2)22/h8,10,13,17-18H,3-7,9,11-12,14-15H2,1-2H3/b13-8+,19-10-/t17-,18-/m0/s1 |
| InChIKey | IGWLQLNRNKKQCR-PDPHMGKHSA-N |
| Molecular Weight | 415.368 g/mol |
| SMILES | [C@]1(C[C@@]1(CCCCCCC)[H])(CCC(=O)O\C=C\C=C\(COC(=O)C)Br)[H] |
| SPLASH | splash10-0002-8910100000-112524f65771208d8023 |
| Source of Spectrum | G4-61-683-1 |
| Wiley ID | 1607228 |