| SpectraBase Compound ID | 7DRk2tnbF6n |
|---|---|
| InChI | InChI=1S/C21H32O5/c1-3-4-5-6-7-10-17-25-20(22)11-8-9-12-21(23)26-19-15-13-18(24-2)14-16-19/h13-16H,3-12,17H2,1-2H3 |
| InChIKey | VOZCZNVCDZQYEW-UHFFFAOYSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C21H32O5 |
| Exact Mass | 364.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3WcTBb8wXHj |
|---|---|
| Name | Adipic acid, 4-methoxyphenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.224974125 u |
| Formula | C21H32O5 |
| InChI | InChI=1S/C21H32O5/c1-3-4-5-6-7-10-17-25-20(22)11-8-9-12-21(23)26-19-15-13-18(24-2)14-16-19/h13-16H,3-12,17H2,1-2H3 |
| InChIKey | VOZCZNVCDZQYEW-UHFFFAOYSA-N |
| Molecular Weight | 364.482 g/mol |
| SMILES | C(CCCCOC(CCCCC(=O)OC1=CC=C(OC)C=C1)=O)CCC |