| SpectraBase Compound ID | Le4oJReJksC |
|---|---|
| InChI | InChI=1S/C31H60O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-33-31(32)4-2/h21-22H,3-20,23-30H2,1-2H3/b22-21+ |
| InChIKey | VGOCQBQEJLONFQ-QURGRASLSA-N |
| Mol Weight | 464.8 g/mol |
| Molecular Formula | C31H60O2 |
| Exact Mass | 464.459331 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4dwKMKKZUqj |
|---|---|
| Name | N-Octacos-9-enyl propionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 464.459331170 u |
| Formula | C31H60O2 |
| InChI | InChI=1S/C31H60O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-33-31(32)4-2/h21-22H,3-20,23-30H2,1-2H3/b22-21+ |
| InChIKey | VGOCQBQEJLONFQ-QURGRASLSA-N |
| Molecular Weight | 464.819 g/mol |
| SMILES | C(CC)(=O)OCCCCCCCC\C=C\CCCCCCCCCCCCCCCCCC |