| SpectraBase Compound ID | Jgnpzfp08i9 |
|---|---|
| InChI | InChI=1S/C27H36O4/c1-19(2)9-6-13-23(27(30)31)14-8-12-20(3)10-7-11-21(4)15-16-24-18-25(28)22(5)17-26(24)29/h9-10,14-15,17-18H,6-8,11-13,16H2,1-5H3,(H,30,31)/b20-10+,21-15+,23-14+ |
| InChIKey | MMLRYQXCAKDHJW-PIIINLNPSA-N |
| Mol Weight | 424.6 g/mol |
| Molecular Formula | C27H36O4 |
| Exact Mass | 424.26136 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DCSfAle4ZDM |
|---|---|
| Name | Chabrolobenzoquinone A |
| Appearance | Pale oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H36O4 |
| InChI | InChI=1S/C27H36O4/c1-19(2)9-6-13-23(27(30)31)14-8-12-20(3)10-7-11-21(4)15-16-24-18-25(28)22(5)17-26(24)29/h9-10,14-15,17-18H,6-8,11-13,16H2,1-5H3,(H,30,31)/b20-10+,21-15+,23-14+ |
| InChIKey | MMLRYQXCAKDHJW-PIIINLNPSA-N |
| Instrument Name | VG Quattro GC/MS |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0401314 |
| Molecular Weight | 424.581 g/mol |
| Reported Formula | C27H36O4 |
| SMILES | OC(\C(=C\CC\C(=C\CC\C(=C\CC=1C(C=C(C(C1)=O)C)=O)C)C)CCC=C(C)C)=O |
| SPLASH | splash10-0170-6900000000-d4ea0286d62a105f9ef2 |
| Source of Spectrum | G4-67-2052-6 |
| Wiley ID | 1881623 |