| SpectraBase Compound ID | FlBdaUpd62B |
|---|---|
| InChI | InChI=1S/C16H28O6/c1-3-5-9-21-14(17)7-6-8-15(18)22-12-16(4-2)10-19-13-20-11-16/h3-13H2,1-2H3 |
| InChIKey | OHLJAXDZMRMVDR-UHFFFAOYSA-N |
| Mol Weight | 316.39 g/mol |
| Molecular Formula | C16H28O6 |
| Exact Mass | 316.188589 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1d6122FwPpO |
|---|---|
| Name | Glutaric acid, butyl (5-ethyl-1,3-dioxan-5-yl)methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.188588616 u |
| Formula | C16H28O6 |
| InChI | InChI=1S/C16H28O6/c1-3-5-9-21-14(17)7-6-8-15(18)22-12-16(4-2)10-19-13-20-11-16/h3-13H2,1-2H3 |
| InChIKey | OHLJAXDZMRMVDR-UHFFFAOYSA-N |
| Molecular Weight | 316.394 g/mol |
| SMILES | C(C1(COCOC1)CC)OC(=O)CCCC(OCCCC)=O |