| SpectraBase Compound ID | Brtc2Zv9KfI |
|---|---|
| InChI | InChI=1S/C31H62O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31(32)33-30-28-26-8-6-4-2/h3-30H2,1-2H3 |
| InChIKey | FWRUNRQEFOCODT-UHFFFAOYSA-N |
| Mol Weight | 466.8 g/mol |
| Molecular Formula | C31H62O2 |
| Exact Mass | 466.474981 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AnxhOqxXGgd |
|---|---|
| Name | Tetracosanoic acid, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 466.474981234 u |
| Formula | C31H62O2 |
| InChI | InChI=1S/C31H62O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31(32)33-30-28-26-8-6-4-2/h3-30H2,1-2H3 |
| InChIKey | FWRUNRQEFOCODT-UHFFFAOYSA-N |
| Molecular Weight | 466.835 g/mol |
| SMILES | C(CCC(OCCCCCCC)=O)CCCCCCCCCCCCCCCCCCCC |