| SpectraBase Compound ID | BXak4rVnHGo |
|---|---|
| InChI | InChI=1S/C18H34O5/c1-3-5-7-9-10-12-14-23-18(20)16-21-15-17(19)22-13-11-8-6-4-2/h3-16H2,1-2H3 |
| InChIKey | KNFWOUGCHLBMFI-UHFFFAOYSA-N |
| Mol Weight | 330.5 g/mol |
| Molecular Formula | C18H34O5 |
| Exact Mass | 330.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 86G8BPILCG3 |
|---|---|
| Name | Diglycolic acid, hexyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.240624190 u |
| Formula | C18H34O5 |
| InChI | InChI=1S/C18H34O5/c1-3-5-7-9-10-12-14-23-18(20)16-21-15-17(19)22-13-11-8-6-4-2/h3-16H2,1-2H3 |
| InChIKey | KNFWOUGCHLBMFI-UHFFFAOYSA-N |
| Molecular Weight | 330.465 g/mol |
| SMILES | C(COCC(=O)OCCCCCC)(=O)OCCCCCCCC |