| SpectraBase Compound ID | Hy8JaY5UYTD |
|---|---|
| InChI | InChI=1S/C21H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20(2)22/h10-11H,3-9,12-19H2,1-2H3/b11-10- |
| InChIKey | NOFWUNDRGNPPMV-KHPPLWFESA-N |
| Mol Weight | 322.5 g/mol |
| Molecular Formula | C21H38O2 |
| Exact Mass | 322.28718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kdzn61zYZHr |
|---|---|
| Name | (Z)-Henicos-12-ene-2,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.287180462 u |
| Formula | C21H38O2 |
| InChI | InChI=1S/C21H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20(2)22/h10-11H,3-9,12-19H2,1-2H3/b11-10- |
| InChIKey | NOFWUNDRGNPPMV-KHPPLWFESA-N |
| Molecular Weight | 322.533 g/mol |
| SMILES | CC(CC(CCCCCCC\C=C/CCCCCCCC)=O)=O |