| SpectraBase Compound ID | KNzwUMGUQw5 |
|---|---|
| InChI | InChI=1S/C26H50O5/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-31-26(28)24-29-23-25(27)30-21-19-17-10-8-6-4-2/h3-24H2,1-2H3 |
| InChIKey | NNTZFBQEJYPGBG-UHFFFAOYSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C26H50O5 |
| Exact Mass | 442.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXOdOBN0fkp |
|---|---|
| Name | Diglycolic acid, octyl tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 442.365824705 u |
| Formula | C26H50O5 |
| InChI | InChI=1S/C26H50O5/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-31-26(28)24-29-23-25(27)30-21-19-17-10-8-6-4-2/h3-24H2,1-2H3 |
| InChIKey | NNTZFBQEJYPGBG-UHFFFAOYSA-N |
| Molecular Weight | 442.681 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCCCCCCC)(=O)OCCCCCCCC |