| SpectraBase Compound ID | JS9wJbXCfTT |
|---|---|
| InChI | InChI=1S/C25H48O5/c1-3-5-7-9-11-13-15-17-19-21-30-25(27)23-28-22-24(26)29-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3 |
| InChIKey | YULHXUGFXKRXOT-UHFFFAOYSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C25H48O5 |
| Exact Mass | 428.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | nARMizBcvj |
|---|---|
| Name | Diglycolic acid, decyl undecyl 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/c1-3-5-7-9-11-13-15-17-19-21-30-25(27)23-28-22-24(26)29-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3 |
| InChIKey | YULHXUGFXKRXOT-UHFFFAOYSA-N |
| Molecular Weight | 428.654 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCCC)(=O)OCCCCCCCCCCC |