| SpectraBase Compound ID | KRhxPQJR5js |
|---|---|
| InChI | InChI=1S/C22H42O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-26-21(23)18-25-19-22(24)27-17-20(3)5-2/h20H,4-19H2,1-3H3 |
| InChIKey | RQQRJYPXICLJAE-UHFFFAOYSA-N |
| Mol Weight | 386.6 g/mol |
| Molecular Formula | C22H42O5 |
| Exact Mass | 386.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 39lIHzxZiEw |
|---|---|
| Name | Diglycolic acid, 2-methylbutyl tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.303224447 u |
| Formula | C22H42O5 |
| InChI | InChI=1S/C22H42O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-26-21(23)18-25-19-22(24)27-17-20(3)5-2/h20H,4-19H2,1-3H3 |
| InChIKey | RQQRJYPXICLJAE-UHFFFAOYSA-N |
| Molecular Weight | 386.573 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCCCCCC)(=O)OCC(C)CC |