| SpectraBase Compound ID | 6o85xziFJ9Y |
|---|---|
| InChI | InChI=1S/C25H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(27)23-24(2)26/h3-23H2,1-2H3 |
| InChIKey | UQJHXCVWLZBJHE-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 | KULgxV5NxR3 |
|---|---|
| Name | Pentacosane-2,4-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/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(27)23-24(2)26/h3-23H2,1-2H3 |
| InChIKey | UQJHXCVWLZBJHE-UHFFFAOYSA-N |
| Molecular Weight | 380.657 g/mol |
| SMILES | CC(CC(CCCCCCCCCCCCCCCCCCCCC)=O)=O |