| SpectraBase Compound ID | KNTrZ1DeLlW |
|---|---|
| InChI | InChI=1S/C19H34O6/c1-3-5-6-7-8-12-24-17(20)10-9-11-18(21)25-15-19(4-2)13-22-16-23-14-19/h3-16H2,1-2H3 |
| InChIKey | VMYJRHOJHZGWPF-UHFFFAOYSA-N |
| Mol Weight | 358.5 g/mol |
| Molecular Formula | C19H34O6 |
| Exact Mass | 358.235539 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IHGgGTZwP6I |
|---|---|
| Name | Glutaric acid, (5-ethyl-1,3-dioxan-5-yl)methyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.235538809 u |
| Formula | C19H34O6 |
| InChI | InChI=1S/C19H34O6/c1-3-5-6-7-8-12-24-17(20)10-9-11-18(21)25-15-19(4-2)13-22-16-23-14-19/h3-16H2,1-2H3 |
| InChIKey | VMYJRHOJHZGWPF-UHFFFAOYSA-N |
| Molecular Weight | 358.475 g/mol |
| SMILES | C(C1(COCOC1)CC)OC(=O)CCCC(OCCCCCCC)=O |