| SpectraBase Compound ID | 4XvIEGMiRea |
|---|---|
| InChI | InChI=1S/C20H30O6/c1-3-4-5-6-7-8-13-25-19(21)15-24-16-20(22)26-14-17-9-11-18(23-2)12-10-17/h9-12H,3-8,13-16H2,1-2H3 |
| InChIKey | HANKYJXHIVGYMA-UHFFFAOYSA-N |
| Mol Weight | 366.45 g/mol |
| Molecular Formula | C20H30O6 |
| Exact Mass | 366.204239 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 70VKpWZDe0G |
|---|---|
| Name | Diglycolic acid, 4-methoxybenzyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.204238680 u |
| Formula | C20H30O6 |
| InChI | InChI=1S/C20H30O6/c1-3-4-5-6-7-8-13-25-19(21)15-24-16-20(22)26-14-17-9-11-18(23-2)12-10-17/h9-12H,3-8,13-16H2,1-2H3 |
| InChIKey | HANKYJXHIVGYMA-UHFFFAOYSA-N |
| Molecular Weight | 366.454 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCC)(=O)OCC1=CC=C(OC)C=C1 |