| SpectraBase Compound ID | Dac3PZvAMBD |
|---|---|
| InChI | InChI=1S/C28H38O4/c1-20(2)10-7-14-24(28(31)32-6)15-9-13-21(3)11-8-12-22(4)16-17-25-19-26(29)23(5)18-27(25)30/h10-11,15-16,18-19H,7-9,12-14,17H2,1-6H3/b21-11+,22-16+,24-15- |
| InChIKey | XYXUNDXHISWCCO-PDDWOKAOSA-N |
| Mol Weight | 438.6 g/mol |
| Molecular Formula | C28H38O4 |
| Exact Mass | 438.27701 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IX9c1M5IvTl |
|---|---|
| Name | Chabrolobenzoquinone D |
| Appearance | Pale oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H38O4 |
| InChI | InChI=1S/C28H38O4/c1-20(2)10-7-14-24(28(31)32-6)15-9-13-21(3)11-8-12-22(4)16-17-25-19-26(29)23(5)18-27(25)30/h10-11,15-16,18-19H,7-9,12-14,17H2,1-6H3/b21-11+,22-16+,24-15- |
| InChIKey | XYXUNDXHISWCCO-PDDWOKAOSA-N |
| Instrument Name | VG Quattro GC/MS |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0401314 |
| Molecular Weight | 438.608 g/mol |
| Reported Formula | C28H38O4 |
| SMILES | C=1C(C(=CC(C1C)=O)C\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C(=O)OC)C)C)=O |
| SPLASH | splash10-0170-4900000000-e97e6a01d59e21fdbd9c |
| Source of Spectrum | G4-67-2052-9 |
| Wiley ID | 1881626 |