| SpectraBase Compound ID | AoSkO0kmBo3 |
|---|---|
| InChI | InChI=1S/C26H42O2/c1-17-9-10-19-25(5)15-11-18-23(2,3)13-8-14-24(18,4)20(25)12-16-26(19,6)21(17)22(27)28-7/h18-20H,8-16H2,1-7H3 |
| InChIKey | AXZDJHNRYXTVKR-UHFFFAOYSA-N |
| Mol Weight | 386.6 g/mol |
| Molecular Formula | C26H42O2 |
| Exact Mass | 386.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7RdvB5Iq5ku |
|---|---|
| Name | Methyl scalar-17-en-25-oate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.318480590 u |
| Formula | C26H42O2 |
| InChI | InChI=1S/C26H42O2/c1-17-9-10-19-25(5)15-11-18-23(2,3)13-8-14-24(18,4)20(25)12-16-26(19,6)21(17)22(27)28-7/h18-20H,8-16H2,1-7H3 |
| InChIKey | AXZDJHNRYXTVKR-UHFFFAOYSA-N |
| Molecular Weight | 386.620 g/mol |
| SMILES | C12(C(C(=O)OC)=C(C)CCC1C1(CCC3C(C1CC2)(CCCC3(C)C)C)C)C |