| SpectraBase Compound ID | 3MWFIMDcNTl |
|---|---|
| InChI | InChI=1S/C27H52O5/c1-3-5-7-9-11-12-13-14-15-17-19-21-23-32-27(29)25-30-24-26(28)31-22-20-18-16-10-8-6-4-2/h3-25H2,1-2H3 |
| InChIKey | BAXQSQJZFJSFDO-UHFFFAOYSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C27H52O5 |
| Exact Mass | 456.381475 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 | GL8MwCAMF |
|---|---|
| Name | Diglycolic acid, nonyl tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.381474769 u |
| Formula | C27H52O5 |
| InChI | InChI=1S/C27H52O5/c1-3-5-7-9-11-12-13-14-15-17-19-21-23-32-27(29)25-30-24-26(28)31-22-20-18-16-10-8-6-4-2/h3-25H2,1-2H3 |
| InChIKey | BAXQSQJZFJSFDO-UHFFFAOYSA-N |
| Molecular Weight | 456.708 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCC)(=O)OCCCCCCCCCCCCCC |