| SpectraBase Compound ID | CvNQG0ElXuY |
|---|---|
| InChI | InChI=1S/C15H20O6/c1-3-4-9-20-14(16)10-19-11-15(17)21-13-7-5-12(18-2)6-8-13/h5-8H,3-4,9-11H2,1-2H3 |
| InChIKey | MYTSOLABFJNCKP-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 | 2OsNArA25Dl |
|---|---|
| Name | Diglycolic acid, butyl 4-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/c1-3-4-9-20-14(16)10-19-11-15(17)21-13-7-5-12(18-2)6-8-13/h5-8H,3-4,9-11H2,1-2H3 |
| InChIKey | MYTSOLABFJNCKP-UHFFFAOYSA-N |
| SMILES | C(COCC(=O)OCCCC)(=O)OC1=CC=C(OC)C=C1 |