| SpectraBase Compound ID | FNG0eqomz4s |
|---|---|
| InChI | InChI=1S/C21H32O7/c1-4-5-6-7-8-9-10-14-27-19(22)15-26-16-20(23)28-21-17(24-2)12-11-13-18(21)25-3/h11-13H,4-10,14-16H2,1-3H3 |
| InChIKey | YNNSILGZZREMHY-UHFFFAOYSA-N |
| Mol Weight | 396.5 g/mol |
| Molecular Formula | C21H32O7 |
| Exact Mass | 396.214803 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DBYg1lV0XcI |
|---|---|
| Name | Diglycolic acid, 2,6-dimethoxyphenyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.214803363 u |
| Formula | C21H32O7 |
| InChI | InChI=1S/C21H32O7/c1-4-5-6-7-8-9-10-14-27-19(22)15-26-16-20(23)28-21-17(24-2)12-11-13-18(21)25-3/h11-13H,4-10,14-16H2,1-3H3 |
| InChIKey | YNNSILGZZREMHY-UHFFFAOYSA-N |
| Molecular Weight | 396.480 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCC)(=O)OC1=C(C=CC=C1OC)OC |