| SpectraBase Compound ID | IXKDnCP3g44 |
|---|---|
| InChI | InChI=1S/C25H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-22-25(27)23-24(26)21-19-17-8-6-4-2/h3-23H2,1-2H3 |
| InChIKey | ITULYPCIBTXTNO-UHFFFAOYSA-N |
| Mol Weight | 380.7 g/mol |
| Molecular Formula | C25H48O2 |
| Exact Mass | 380.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IDYft314Mac |
|---|---|
| Name | Pentacosane-8,10-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.365430784 u |
| Formula | C25H48O2 |
| InChI | InChI=1S/C25H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-22-25(27)23-24(26)21-19-17-8-6-4-2/h3-23H2,1-2H3 |
| InChIKey | ITULYPCIBTXTNO-UHFFFAOYSA-N |
| Molecular Weight | 380.657 g/mol |
| SMILES | CCCCCCCC(CC(CCCCCCCCCCCCCCC)=O)=O |