| SpectraBase Compound ID | HmcRDxjlmtR |
|---|---|
| InChI | InChI=1S/C25H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-29-24(26)21-28-22-25(27)30-20-18-23(2)3/h23H,4-22H2,1-3H3 |
| InChIKey | OLDKODNEINLUBI-UHFFFAOYSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C25H48O5 |
| Exact Mass | 428.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | jB19hnXV6v |
|---|---|
| Name | Diglycolic acid, hexadecyl 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 428.350174641 u |
| Formula | C25H48O5 |
| InChI | InChI=1S/C25H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-29-24(26)21-28-22-25(27)30-20-18-23(2)3/h23H,4-22H2,1-3H3 |
| InChIKey | OLDKODNEINLUBI-UHFFFAOYSA-N |
| Molecular Weight | 428.654 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCCCCCCCCC)(=O)OCCC(C)C |