| SpectraBase Compound ID | J28lvN5g0kE |
|---|---|
| InChI | InChI=1S/C24H46O5/c1-3-5-7-9-11-12-13-14-16-18-20-29-24(26)22-27-21-23(25)28-19-17-15-10-8-6-4-2/h3-22H2,1-2H3 |
| InChIKey | XCVMUSZRVHJZBX-UHFFFAOYSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C24H46O5 |
| Exact Mass | 414.334525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 85KTjGY7Qtf |
|---|---|
| Name | Diglycolic acid, dodecyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.334524576 u |
| Formula | C24H46O5 |
| InChI | InChI=1S/C24H46O5/c1-3-5-7-9-11-12-13-14-16-18-20-29-24(26)22-27-21-23(25)28-19-17-15-10-8-6-4-2/h3-22H2,1-2H3 |
| InChIKey | XCVMUSZRVHJZBX-UHFFFAOYSA-N |
| Molecular Weight | 414.627 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCCCCC)(=O)OCCCCCCCC |