| SpectraBase Compound ID | 3WWIORByfUq |
|---|---|
| InChI | InChI=1S/C17H32O5/c1-4-5-6-7-8-9-11-21-16(18)13-20-14-17(19)22-12-10-15(2)3/h15H,4-14H2,1-3H3 |
| InChIKey | IVTDOLABIWCOBZ-UHFFFAOYSA-N |
| Mol Weight | 316.4 g/mol |
| Molecular Formula | C17H32O5 |
| Exact Mass | 316.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ISwnWlITa7v |
|---|---|
| Name | Diglycolic acid, 3-methylbutyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.224974125 u |
| Formula | C17H32O5 |
| InChI | InChI=1S/C17H32O5/c1-4-5-6-7-8-9-11-21-16(18)13-20-14-17(19)22-12-10-15(2)3/h15H,4-14H2,1-3H3 |
| InChIKey | IVTDOLABIWCOBZ-UHFFFAOYSA-N |
| Molecular Weight | 316.438 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCC)(=O)OCCC(C)C |