| SpectraBase Compound ID | CpW4vd8DYPI |
|---|---|
| InChI | InChI=1S/C27H36O4/c1-19(9-6-10-20(2)13-8-14-22(4)27(30)31)11-7-12-21(3)15-16-24-18-25(28)17-23(5)26(24)29/h10-11,14-15,17-18H,6-9,12-13,16H2,1-5H3,(H,30,31)/b19-11+,20-10+,21-15+,22-14+ |
| InChIKey | QOEFPFBYOGNVTJ-XLSBHEENSA-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 | 3hCQCb8hk4i |
|---|---|
| Name | Menzoquinone |
| Appearance | Yellow oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H36O4 |
| InChI | InChI=1S/C27H36O4/c1-19(9-6-10-20(2)13-8-14-22(4)27(30)31)11-7-12-21(3)15-16-24-18-25(28)17-23(5)26(24)29/h10-11,14-15,17-18H,6-9,12-13,16H2,1-5H3,(H,30,31)/b19-11+,20-10+,21-15+,22-14+ |
| InChIKey | QOEFPFBYOGNVTJ-XLSBHEENSA-N |
| Instrument Name | Micromass 70-VSE |
| Ionization Type | EI Positive ion |
| Literature Reference DOI | 10.1021/np049965c |
| Molecular Weight | 424.581 g/mol |
| Reported Formula | C27H36O4 |
| SMILES | OC(\C(=C\CC\C(=C\CC\C(=C\CC\C(=C\CC=1C(C(=CC(C1)=O)C)=O)C)C)C)C)=O |
| SPLASH | splash10-004i-3900100000-9973ab3b822ac2da9286 |
| Source of Spectrum | G4-67-SM33-12 |
| Wiley ID | 1884052 |