| SpectraBase Compound ID | 118geBdTFWh |
|---|---|
| InChI | InChI=1S/C18H32O6/c1-4-7-8-9-12-17(20)23-14-15(24-18(21)11-6-3)13-22-16(19)10-5-2/h15H,4-14H2,1-3H3 |
| InChIKey | FGAZVQGINSJFKV-UHFFFAOYSA-N |
| Mol Weight | 344.4 g/mol |
| Molecular Formula | C18H32O6 |
| Exact Mass | 344.219889 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3usRjVfnnpp |
|---|---|
| Name | Heptano-dibutyrin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.219888744 u |
| Formula | C18H32O6 |
| InChI | InChI=1S/C18H32O6/c1-4-7-8-9-12-17(20)23-14-15(24-18(21)11-6-3)13-22-16(19)10-5-2/h15H,4-14H2,1-3H3 |
| InChIKey | FGAZVQGINSJFKV-UHFFFAOYSA-N |
| Molecular Weight | 344.448 g/mol |
| SMILES | CCCC(OCC(COC(CCCCCC)=O)OC(=O)CCC)=O |