| SpectraBase Compound ID | HCbgUXcXNN0 |
|---|---|
| InChI | InChI=1S/C21H32O6/c1-4-5-6-7-10-16-26-19(22)14-8-9-15-20(23)27-21-17(24-2)12-11-13-18(21)25-3/h11-13H,4-10,14-16H2,1-3H3 |
| InChIKey | ZFXUGODXOMCIRE-UHFFFAOYSA-N |
| Mol Weight | 380.5 g/mol |
| Molecular Formula | C21H32O6 |
| Exact Mass | 380.219889 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LyOD16Gkrvv |
|---|---|
| Name | Adipic acid, 2,6-dimethoxyphenyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.219888744 u |
| Formula | C21H32O6 |
| InChI | InChI=1S/C21H32O6/c1-4-5-6-7-10-16-26-19(22)14-8-9-15-20(23)27-21-17(24-2)12-11-13-18(21)25-3/h11-13H,4-10,14-16H2,1-3H3 |
| InChIKey | ZFXUGODXOMCIRE-UHFFFAOYSA-N |
| Molecular Weight | 380.481 g/mol |
| SMILES | C(CCCCC(=O)OC1=C(C=CC=C1OC)OC)(OCCCCCCC)=O |