| SpectraBase Compound ID | 5yu1wb8MpzI |
|---|---|
| InChI | InChI=1S/C18H34O5/c1-4-6-7-8-9-10-11-13-22-17(19)14-21-15-18(20)23-16(3)12-5-2/h16H,4-15H2,1-3H3 |
| InChIKey | UHVMETKFNZQCPF-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 | 9GyDD7eHe1S |
|---|---|
| Name | Diglycolic acid, nonyl 2-pentyl 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/c1-4-6-7-8-9-10-11-13-22-17(19)14-21-15-18(20)23-16(3)12-5-2/h16H,4-15H2,1-3H3 |
| InChIKey | UHVMETKFNZQCPF-UHFFFAOYSA-N |
| Molecular Weight | 330.465 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCC)(=O)OC(C)CCC |