| SpectraBase Compound ID | El2ibmpjn6j |
|---|---|
| InChI | InChI=1S/C27H38O3/c1-19(2)9-7-11-21(4)15-25(28)16-22(5)12-8-10-20(3)13-14-24-18-26(29)23(6)17-27(24)30/h9,12-13,15,17-18,25,28H,7-8,10-11,14,16H2,1-6H3/b20-13+,21-15+,22-12+ |
| InChIKey | IKPZDNBDQHJHQW-OPKIJKSPSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C27H38O3 |
| Exact Mass | 410.282095 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3FaYR9Ux1M |
|---|---|
| Name | Chabrolobenzoquinone G |
| Appearance | Pale yellow oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H38O3 |
| InChI | InChI=1S/C27H38O3/c1-19(2)9-7-11-21(4)15-25(28)16-22(5)12-8-10-20(3)13-14-24-18-26(29)23(6)17-27(24)30/h9,12-13,15,17-18,25,28H,7-8,10-11,14,16H2,1-6H3/b20-13+,21-15+,22-12+ |
| InChIKey | IKPZDNBDQHJHQW-OPKIJKSPSA-N |
| Instrument Name | VG QUATTRO |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np050278a |
| Molecular Weight | 410.598 g/mol |
| Optical Rotation | [a]D25 = +6.4 (c = 0.5, CHCl3) |
| Reported Formula | C27H38O3 |
| SMILES | OC(C\C(=C\CC\C(=C\CC=1C(C=C(C(C1)=O)C)=O)C)C)\C=C\(CCC=C(C)C)C |
| SPLASH | splash10-016r-6900000000-b43c760947a471a87283 |
| Source of Spectrum | G4-68-1655-4 |
| Wiley ID | 1879487 |