| SpectraBase Compound ID | EdvAjofubjB |
|---|---|
| InChI | InChI=1S/C25H30O8/c1-4-5-6-7-8-9-17(26)11-16-12-19(14-21(28)23(16)24(29)30)33-25(31)22-15(2)10-18(32-3)13-20(22)27/h10,12-14,27-28H,4-9,11H2,1-3H3,(H,29,30) |
| InChIKey | CQBMATHFRHPDLS-UHFFFAOYSA-N |
| Mol Weight | 458.51 g/mol |
| Molecular Formula | C25H30O8 |
| Exact Mass | 458.194068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4vdbS9YbTTD |
|---|---|
| Name | patagonic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H30O8 |
| InChI | InChI=1S/C25H30O8/c1-4-5-6-7-8-9-17(26)11-16-12-19(14-21(28)23(16)24(29)30)33-25(31)22-15(2)10-18(32-3)13-20(22)27/h10,12-14,27-28H,4-9,11H2,1-3H3,(H,29,30) |
| InChIKey | CQBMATHFRHPDLS-UHFFFAOYSA-N |
| Molecular Weight | 458.507 g/mol |
| SMILES | Oc1cc(cc(c1C(=O)O)CC(=O)CCCCCCC)OC(c1c(cc(cc1C)OC)O)=O |
| SPLASH | splash10-0udi-0910000000-edef5d0d4a19746fab2a |
| Source of Spectrum | B-47-1335-0 |
| Wiley ID | 1389867 |