| SpectraBase Compound ID | 1iC0EvLjPnQ |
|---|---|
| InChI | InChI=1S/C25H44O5/c1-17(21(26)28-7)18-9-14-23(4,30-29-18)15-10-20-24(5)13-8-12-22(2,3)19(24)11-16-25(20,6)27/h17-20,27H,8-16H2,1-7H3/t17-,18-,19-,20+,23-,24-,25-/m1/s1 |
| InChIKey | UKQQQFDVYRDSMR-WPFZUYMBSA-N |
| Mol Weight | 424.6 g/mol |
| Molecular Formula | C25H44O5 |
| Exact Mass | 424.318875 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3C16xZmzh3 |
|---|---|
| Name | Mycaperoxide C - Methyl Ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H44O5 |
| InChI | InChI=1S/C25H44O5/c1-17(21(26)28-7)18-9-14-23(4,30-29-18)15-10-20-24(5)13-8-12-22(2,3)19(24)11-16-25(20,6)27/h17-20,27H,8-16H2,1-7H3/t17-,18-,19-,20+,23-,24-,25-/m1/s1 |
| InChIKey | UKQQQFDVYRDSMR-WPFZUYMBSA-N |
| Molecular Weight | 424.622 g/mol |
| SMILES | O[C@]1([C@]([C@]2([C@@](C(C)(C)CCC2)(CC1)[H])C)(CC[C@@]1(OO[C@@]([C@](C(=O)OC)(C)[H])(CC1)[H])C)[H])C |
| SPLASH | splash10-0ll1-9500000000-6b4165ce5d1f2559dd12 |
| Source of Spectrum | G4-60-1264-4 |
| Wiley ID | 1606974 |