| SpectraBase Compound ID | GZBEdKBAPTB |
|---|---|
| InChI | InChI=1S/C24H46O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-28-23(25)20-27-21-24(26)29-22(3)18-5-2/h22H,4-21H2,1-3H3 |
| InChIKey | NTYZWKZCKAGRSP-UHFFFAOYSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C24H46O5 |
| Exact Mass | 414.334525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Je08v2KN6G |
|---|---|
| Name | Diglycolic acid, pentadecyl 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.334524576 u |
| Formula | C24H46O5 |
| InChI | InChI=1S/C24H46O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-28-23(25)20-27-21-24(26)29-22(3)18-5-2/h22H,4-21H2,1-3H3 |
| InChIKey | NTYZWKZCKAGRSP-UHFFFAOYSA-N |
| Molecular Weight | 414.627 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCCCCCCCC)(=O)OC(C)CCC |