| SpectraBase Compound ID | CBk47qIoyT9 |
|---|---|
| InChI | InChI=1S/C18H26O6/c1-13(19)3-5-15(21)7-9-17(23)11-12-18(24)10-8-16(22)6-4-14(2)20/h3-12H2,1-2H3 |
| InChIKey | ZJBLMVVRAUUIST-UHFFFAOYSA-N |
| Mol Weight | 338.4 g/mol |
| Molecular Formula | C18H26O6 |
| Exact Mass | 338.172939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 25ROsyTw2Jw |
|---|---|
| Name | Octadecane-2,5,8,11,14,17-hexaone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.172938551 u |
| Formula | C18H26O6 |
| InChI | InChI=1S/C18H26O6/c1-13(19)3-5-15(21)7-9-17(23)11-12-18(24)10-8-16(22)6-4-14(2)20/h3-12H2,1-2H3 |
| InChIKey | ZJBLMVVRAUUIST-UHFFFAOYSA-N |
| Molecular Weight | 338.400 g/mol |
| SMILES | C(=O)(CCC(=O)C)CCC(=O)CCC(=O)CCC(=O)CCC(=O)C |