| SpectraBase Compound ID | 5gYJCIKcGWX |
|---|---|
| InChI | InChI=1S/C27H52O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(29)25-26(2)28/h3-25H2,1-2H3 |
| InChIKey | YAMQASNSNZBZPD-UHFFFAOYSA-N |
| Mol Weight | 408.7 g/mol |
| Molecular Formula | C27H52O2 |
| Exact Mass | 408.396731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 39Olv4RQWiR |
|---|---|
| Name | Heptacosane-2,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.396730912 u |
| Formula | C27H52O2 |
| InChI | InChI=1S/C27H52O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(29)25-26(2)28/h3-25H2,1-2H3 |
| InChIKey | YAMQASNSNZBZPD-UHFFFAOYSA-N |
| Molecular Weight | 408.711 g/mol |
| SMILES | CC(CC(CCCCCCCCCCCCCCCCCCCCCCC)=O)=O |