| SpectraBase Compound ID | Hnn6syeNTS0 |
|---|---|
| InChI | InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18- |
| InChIKey | MBMBGCFOFBJSGT-KUBAVDMBSA-N |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C22H32O2 |
| Exact Mass | 328.24023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KkwdLwlS7Ij |
|---|---|
| Name | Doconexent |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.240230268 u |
| Formula | C22H32O2 |
| InChI | InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18- |
| InChIKey | MBMBGCFOFBJSGT-KUBAVDMBSA-N |
| Molecular Weight | 328.496 g/mol |
| SMILES | CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O |