| SpectraBase Compound ID | 8Qb5qKcdUBi |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-3-4-5-6-7-8-13-18-25-21(23)16-11-12-17-22(24)26-20-15-10-9-14-19(20)2/h19-20H,3-18H2,1-2H3 |
| InChIKey | XSANZLRRKPLCLN-UHFFFAOYSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C22H40O4 |
| Exact Mass | 368.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7TuOdD3dLxL |
|---|---|
| Name | Adipic acid, nonyl trans-2-methylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.292659764 u |
| Formula | C22H40O4 |
| InChI | InChI=1S/C22H40O4/c1-3-4-5-6-7-8-13-18-25-21(23)16-11-12-17-22(24)26-20-15-10-9-14-19(20)2/h19-20H,3-18H2,1-2H3 |
| InChIKey | XSANZLRRKPLCLN-UHFFFAOYSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | C1(CCCCC1C)OC(=O)CCCCC(OCCCCCCCCC)=O |