| SpectraBase Compound ID | BuvECuGsLC3 |
|---|---|
| InChI | InChI=1S/C21H36O3/c1-3-4-5-6-8-11-14-17-20(22)18-15-12-9-7-10-13-16-19-21(23)24-2/h4-5,8,11,14,17,20,22H,3,6-7,9-10,12-13,15-16,18-19H2,1-2H3/b5-4+,11-8+,17-14+ |
| InChIKey | XAGHXPSQGFWIRK-CITRGTOMSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C21H36O3 |
| Exact Mass | 336.266445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HTmWfPzYQfN |
|---|---|
| Name | (12E,14E,17E)-11-HYDROXY-12,14,17-DODECATRIENOIC-ACID-METHYLESTER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H36O3 |
| InChI | InChI=1S/C21H36O3/c1-3-4-5-6-8-11-14-17-20(22)18-15-12-9-7-10-13-16-19-21(23)24-2/h4-5,8,11,14,17,20,22H,3,6-7,9-10,12-13,15-16,18-19H2,1-2H3/b5-4+,11-8+,17-14+ |
| InChIKey | XAGHXPSQGFWIRK-CITRGTOMSA-N |
| Literature Reference Author | M.TORI,Y.MUKAI,K.NAKASHIMA,M.SONO |
| Literature Reference Citation | MOLECULES,8,882(2003) |
| Literature Reference DOI | 10.3390/81200882 |
| Molecular Weight | 336.515 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS5850 |