| SpectraBase Compound ID | FaTWKxA3Aic |
|---|---|
| InChI | InChI=1S/C31H58O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31(33)29-30(2)32/h10-11H,3-9,12-29H2,1-2H3/b11-10- |
| InChIKey | PCUWNQVNMSDXMY-KHPPLWFESA-N |
| Mol Weight | 462.8 g/mol |
| Molecular Formula | C31H58O2 |
| Exact Mass | 462.443681 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CL4qWUztmnq |
|---|---|
| Name | (Z)-Hentriacont-22-ene-2,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 462.443681106 u |
| Formula | C31H58O2 |
| InChI | InChI=1S/C31H58O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31(33)29-30(2)32/h10-11H,3-9,12-29H2,1-2H3/b11-10- |
| InChIKey | PCUWNQVNMSDXMY-KHPPLWFESA-N |
| Molecular Weight | 462.803 g/mol |
| SMILES | CC(CC(CCCCCCCCCCCCCCCCC\C=C/CCCCCCCC)=O)=O |