| SpectraBase Compound ID | 6RaGwNwpUhj |
|---|---|
| InChI | InChI=1S/C17H30O6/c1-4-7-8-11-16(19)22-13-14(23-17(20)10-6-3)12-21-15(18)9-5-2/h14H,4-13H2,1-3H3 |
| InChIKey | PPYJPJGXOGTUTQ-UHFFFAOYSA-N |
| Mol Weight | 330.42 g/mol |
| Molecular Formula | C17H30O6 |
| Exact Mass | 330.204239 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AUWeQZE3P3W |
|---|---|
| Name | Hexano-dibutyrin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.204238680 u |
| Formula | C17H30O6 |
| InChI | InChI=1S/C17H30O6/c1-4-7-8-11-16(19)22-13-14(23-17(20)10-6-3)12-21-15(18)9-5-2/h14H,4-13H2,1-3H3 |
| InChIKey | PPYJPJGXOGTUTQ-UHFFFAOYSA-N |
| Molecular Weight | 330.421 g/mol |
| SMILES | CCCC(OCC(COC(CCCCC)=O)OC(=O)CCC)=O |