| SpectraBase Compound ID | 5XpCKpNGuyC |
|---|---|
| InChI | InChI=1S/C25H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(27)23-24(2)26/h10-11H,3-9,12-23H2,1-2H3/b11-10- |
| InChIKey | MDFRVEWZNNVTRI-KHPPLWFESA-N |
| Mol Weight | 378.6 g/mol |
| Molecular Formula | C25H46O2 |
| Exact Mass | 378.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5eNx5O5FNwg |
|---|---|
| Name | (Z)-Pentacos-16-ene-2,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.349780719 u |
| Formula | C25H46O2 |
| InChI | InChI=1S/C25H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(27)23-24(2)26/h10-11H,3-9,12-23H2,1-2H3/b11-10- |
| InChIKey | MDFRVEWZNNVTRI-KHPPLWFESA-N |
| Molecular Weight | 378.641 g/mol |
| SMILES | CC(CC(CCCCCCCCCCC\C=C/CCCCCCCC)=O)=O |