| SpectraBase Compound ID | 6OuGMi7ITLS |
|---|---|
| InChI | InChI=1S/C28H36O5/c1-17-9-7-11-18(2)13-15-21-24(30)27-23(25(31)26(21)32-20(4)29)22(28(5,6)33-27)16-14-19(3)12-8-10-17/h9,12-13,22H,7-8,10-11,14-16H2,1-6H3/b17-9+,18-13+,19-12+ |
| InChIKey | JCJUZHSJUCBSTE-FFGSEWCMSA-N |
| Mol Weight | 452.6 g/mol |
| Molecular Formula | C28H36O5 |
| Exact Mass | 452.256274 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6KxxRPmzGDk |
|---|---|
| Name | Tridentochinon acetate |
| CAS Registry Number | 58262-69-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H36O5 |
| InChI | InChI=1S/C28H36O5/c1-17-9-7-11-18(2)13-15-21-24(30)27-23(25(31)26(21)32-20(4)29)22(28(5,6)33-27)16-14-19(3)12-8-10-17/h9,12-13,22H,7-8,10-11,14-16H2,1-6H3/b17-9+,18-13+,19-12+ |
| InChIKey | JCJUZHSJUCBSTE-FFGSEWCMSA-N |
| Molecular Weight | 452.591 g/mol |
| SMILES | CC(=O)OC1=C2CC=C(C)CC\C=C/(C)CC\C=C/(C)CCC3C(C1=O)=C(OC3(C)C)C2=O |
| SPLASH | splash10-0udi-9232500000-ac3c24787ef8f908c4bd |
| Source of Spectrum | O-11-473-1 |
| Wiley ID | 1388356 |