| SpectraBase Compound ID | HFYSfOtWqcN |
|---|---|
| InChI | InChI=1S/C22H42O5/c1-3-5-7-9-10-11-12-14-16-18-27-22(24)20-25-19-21(23)26-17-15-13-8-6-4-2/h3-20H2,1-2H3 |
| InChIKey | NZKNFHUCOQTSQD-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 | ICgRIamktA3 |
|---|---|
| Name | Diglycolic acid, heptyl undecyl 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/c1-3-5-7-9-10-11-12-14-16-18-27-22(24)20-25-19-21(23)26-17-15-13-8-6-4-2/h3-20H2,1-2H3 |
| InChIKey | NZKNFHUCOQTSQD-UHFFFAOYSA-N |
| Molecular Weight | 386.573 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCCCC)(=O)OCCCCCCC |