| SpectraBase Compound ID | 6SLtsCxFqY |
|---|---|
| InChI | InChI=1S/C18H26O6/c1-14(2)5-4-10-23-17(19)12-22-13-18(20)24-11-15-6-8-16(21-3)9-7-15/h6-9,14H,4-5,10-13H2,1-3H3 |
| InChIKey | UNBLDHMKGLEBEI-UHFFFAOYSA-N |
| Mol Weight | 338.4 g/mol |
| Molecular Formula | C18H26O6 |
| Exact Mass | 338.172939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IbDsUGlPuAi |
|---|---|
| Name | Diglycolic acid, isohexyl 4-methoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.172938551 u |
| Formula | C18H26O6 |
| InChI | InChI=1S/C18H26O6/c1-14(2)5-4-10-23-17(19)12-22-13-18(20)24-11-15-6-8-16(21-3)9-7-15/h6-9,14H,4-5,10-13H2,1-3H3 |
| InChIKey | UNBLDHMKGLEBEI-UHFFFAOYSA-N |
| Molecular Weight | 338.400 g/mol |
| SMILES | C(COCC(=O)OCCCC(C)C)(=O)OCC1=CC=C(OC)C=C1 |