| SpectraBase Compound ID | 9tEjIDCEcPf |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-3-4-5-6-9-16-24-19(21)10-7-8-11-20(22)25-18-14-12-17(23-2)13-15-18/h12-15H,3-11,16H2,1-2H3 |
| InChIKey | MHFIWZNVIHAMMK-UHFFFAOYSA-N |
| Mol Weight | 350.46 g/mol |
| Molecular Formula | C20H30O5 |
| Exact Mass | 350.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3BspjjGJ84Y |
|---|---|
| Name | Adipic acid, heptyl 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.209324061 u |
| Formula | C20H30O5 |
| InChI | InChI=1S/C20H30O5/c1-3-4-5-6-9-16-24-19(21)10-7-8-11-20(22)25-18-14-12-17(23-2)13-15-18/h12-15H,3-11,16H2,1-2H3 |
| InChIKey | MHFIWZNVIHAMMK-UHFFFAOYSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | C(OC(CCCCC(=O)OC1=CC=C(OC)C=C1)=O)CCCCCC |