| SpectraBase Compound ID | FgVc2DJmhnA |
|---|---|
| InChI | InChI=1S/C16H22O7/c1-11(2)8-22-14(17)9-21-10-15(18)23-16-12(19-3)6-5-7-13(16)20-4/h5-7,11H,8-10H2,1-4H3 |
| InChIKey | QFOSOBYGBXTBHA-UHFFFAOYSA-N |
| Mol Weight | 326.35 g/mol |
| Molecular Formula | C16H22O7 |
| Exact Mass | 326.136553 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4qaLH5k8TX7 |
|---|---|
| Name | Diglycolic acid, 2,6-dimethoxyphenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.136553041 u |
| Formula | C16H22O7 |
| InChI | InChI=1S/C16H22O7/c1-11(2)8-22-14(17)9-21-10-15(18)23-16-12(19-3)6-5-7-13(16)20-4/h5-7,11H,8-10H2,1-4H3 |
| InChIKey | QFOSOBYGBXTBHA-UHFFFAOYSA-N |
| Molecular Weight | 326.345 g/mol |
| SMILES | C(COCC(=O)OCC(C)C)(=O)OC1=C(C=CC=C1OC)OC |