| SpectraBase Compound ID | KjJENCbjvx5 |
|---|---|
| InChI | InChI=1S/C27H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(29)25-26(2)28/h10-11H,3-9,12-25H2,1-2H3/b11-10- |
| InChIKey | JOPYJNRQQOWTHX-KHPPLWFESA-N |
| Mol Weight | 406.7 g/mol |
| Molecular Formula | C27H50O2 |
| Exact Mass | 406.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5NM7GW8UxMl |
|---|---|
| Name | (Z)-Heptacos-18-ene-2,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 406.381080848 u |
| Formula | C27H50O2 |
| InChI | InChI=1S/C27H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(29)25-26(2)28/h10-11H,3-9,12-25H2,1-2H3/b11-10- |
| InChIKey | JOPYJNRQQOWTHX-KHPPLWFESA-N |
| Molecular Weight | 406.695 g/mol |
| SMILES | CC(CC(CCCCCCCCCCCCC\C=C/CCCCCCCC)=O)=O |