| SpectraBase Compound ID | 5bxSA55g0NW |
|---|---|
| InChI | InChI=1S/C25H48O5/c1-3-5-7-9-10-11-12-13-14-15-17-19-21-30-25(27)23-28-22-24(26)29-20-18-16-8-6-4-2/h3-23H2,1-2H3 |
| InChIKey | KXZPZXWYYWEFID-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 | HIQ3cAqIpL9 |
|---|---|
| Name | Diglycolic acid, heptyl tetradecyl 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/c1-3-5-7-9-10-11-12-13-14-15-17-19-21-30-25(27)23-28-22-24(26)29-20-18-16-8-6-4-2/h3-23H2,1-2H3 |
| InChIKey | KXZPZXWYYWEFID-UHFFFAOYSA-N |
| Molecular Weight | 428.654 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCCCCCCC)(=O)OCCCCCCC |