| SpectraBase Compound ID | AbF0CwoFQf1 |
|---|---|
| InChI | InChI=1S/C29H56O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31-2/h27-28H,3-26H2,1-2H3/b28-27- |
| InChIKey | JMJDBFXXOPTNEX-DQSJHHFOSA-N |
| Mol Weight | 436.8 g/mol |
| Molecular Formula | C29H56O2 |
| Exact Mass | 436.428031 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ASnvtXJPCB |
|---|---|
| Name | Methyl octacos-2(Z)-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 436.428031041 u |
| Formula | C29H56O2 |
| InChI | InChI=1S/C29H56O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31-2/h27-28H,3-26H2,1-2H3/b28-27- |
| InChIKey | JMJDBFXXOPTNEX-DQSJHHFOSA-N |
| SMILES | C(CCCCCCCCCCCCCCCCCCCCCCC)C\C=C/C(OC)=O |