| SpectraBase Compound ID | 551x7m4HrMW |
|---|---|
| InChI | InChI=1S/C17H32O5/c1-3-5-7-8-9-11-13-22-17(19)15-20-14-16(18)21-12-10-6-4-2/h3-15H2,1-2H3 |
| InChIKey | IOHNECXTVHULPV-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 | 5EJtlJuESMY |
|---|---|
| Name | Diglycolic acid, pentyl 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/c1-3-5-7-8-9-11-13-22-17(19)15-20-14-16(18)21-12-10-6-4-2/h3-15H2,1-2H3 |
| InChIKey | IOHNECXTVHULPV-UHFFFAOYSA-N |
| Molecular Weight | 316.438 g/mol |
| SMILES | C(COCC(=O)OCCCCC)(=O)OCCCCCCCC |