| SpectraBase Compound ID | EVBjORFL0bI |
|---|---|
| InChI | InChI=1S/C29H56O/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-29(30)27-25-23-21-19-12-10-8-6-4-2/h15-16H,3-14,17-28H2,1-2H3/b16-15- |
| InChIKey | RRCYAZYOJVXDGQ-NXVVXOECSA-N |
| Mol Weight | 420.8 g/mol |
| Molecular Formula | C29H56O |
| Exact Mass | 420.433116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7uo34RQncEy |
|---|---|
| Name | (Z)-20-Nonacosen-12-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.433116422 u |
| Formula | C29H56O |
| InChI | InChI=1S/C29H56O/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-29(30)27-25-23-21-19-12-10-8-6-4-2/h15-16H,3-14,17-28H2,1-2H3/b16-15- |
| InChIKey | RRCYAZYOJVXDGQ-NXVVXOECSA-N |
| Molecular Weight | 420.766 g/mol |
| SMILES | C(=O)(CCCCCCCCCCC)CCCCCCC\C=C/CCCCCCCC |