| SpectraBase Compound ID | IsTtDJrKVJq |
|---|---|
| InChI | InChI=1S/C18H26O6/c1-13(2)12-23-16(19)10-5-6-11-17(20)24-18-14(21-3)8-7-9-15(18)22-4/h7-9,13H,5-6,10-12H2,1-4H3 |
| InChIKey | MLPWQKSFTUKETI-UHFFFAOYSA-N |
| Mol Weight | 338.4 g/mol |
| Molecular Formula | C18H26O6 |
| Exact Mass | 338.172939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gr6x2gipO6M |
|---|---|
| Name | Adipic acid, 2,6-dimethoxyphenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.172938551 u |
| Formula | C18H26O6 |
| InChI | InChI=1S/C18H26O6/c1-13(2)12-23-16(19)10-5-6-11-17(20)24-18-14(21-3)8-7-9-15(18)22-4/h7-9,13H,5-6,10-12H2,1-4H3 |
| InChIKey | MLPWQKSFTUKETI-UHFFFAOYSA-N |
| Molecular Weight | 338.400 g/mol |
| SMILES | C(CCC(=O)OC1=C(OC)C=CC=C1OC)CC(OCC(C)C)=O |