| SpectraBase Compound ID | 6xqszCQXaNa |
|---|---|
| InChI | InChI=1S/C15H20O6/c1-11(2)8-20-14(16)9-19-10-15(17)21-13-7-5-4-6-12(13)18-3/h4-7,11H,8-10H2,1-3H3 |
| InChIKey | ZGASQFPKBVTPGX-UHFFFAOYSA-N |
| Mol Weight | 296.32 g/mol |
| Molecular Formula | C15H20O6 |
| Exact Mass | 296.125988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4057uW6KqTL |
|---|---|
| Name | Diglycolic acid, isobutyl 2-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.125988358 u |
| Formula | C15H20O6 |
| InChI | InChI=1S/C15H20O6/c1-11(2)8-20-14(16)9-19-10-15(17)21-13-7-5-4-6-12(13)18-3/h4-7,11H,8-10H2,1-3H3 |
| InChIKey | ZGASQFPKBVTPGX-UHFFFAOYSA-N |
| SMILES | C(COCC(=O)OCC(C)C)(=O)OC1=C(OC)C=CC=C1 |