| SpectraBase Compound ID | 1EJGY3a1k2Z |
|---|---|
| InChI | InChI=1S/C16H28O6/c1-4-16(9-19-12-20-10-16)11-22-15(18)7-5-6-14(17)21-8-13(2)3/h13H,4-12H2,1-3H3 |
| InChIKey | IMMXYWDWWCWWOV-UHFFFAOYSA-N |
| Mol Weight | 316.39 g/mol |
| Molecular Formula | C16H28O6 |
| Exact Mass | 316.188589 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AcNcfPpl1c3 |
|---|---|
| Name | Glutaric acid, (5-ethyl-1,3-dioxan-5-yl)methyl isobutyl 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/c1-4-16(9-19-12-20-10-16)11-22-15(18)7-5-6-14(17)21-8-13(2)3/h13H,4-12H2,1-3H3 |
| InChIKey | IMMXYWDWWCWWOV-UHFFFAOYSA-N |
| Molecular Weight | 316.394 g/mol |
| SMILES | C(C1(COCOC1)CC)OC(=O)CCCC(OCC(C)C)=O |