| SpectraBase Compound ID | 2Evmjkxu3fN |
|---|---|
| InChI | InChI=1S/C23H44O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-27-22(24)19-26-20-23(25)28-21(3)17-5-2/h21H,4-20H2,1-3H3 |
| InChIKey | ZQFDJMHRNUKPCS-UHFFFAOYSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C23H44O5 |
| Exact Mass | 400.318875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6OwXmDk1Vot |
|---|---|
| Name | Diglycolic acid, 2-pentyl tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.318874512 u |
| Formula | C23H44O5 |
| InChI | InChI=1S/C23H44O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-27-22(24)19-26-20-23(25)28-21(3)17-5-2/h21H,4-20H2,1-3H3 |
| InChIKey | ZQFDJMHRNUKPCS-UHFFFAOYSA-N |
| Molecular Weight | 400.600 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCCCCCCC)(=O)OC(C)CCC |