| SpectraBase Compound ID | FLhhJ1CfD3l |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-4-7-8-9-10-11-14-17-25-21(23)19-15-12-13-16-20(19)22(24)26-18(5-2)6-3/h18-20H,4-17H2,1-3H3 |
| InChIKey | VZSJQINRZXYIGX-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 | CtCHhhDZC2q |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, nonyl 3-pentyl 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/c1-4-7-8-9-10-11-14-17-25-21(23)19-15-12-13-16-20(19)22(24)26-18(5-2)6-3/h18-20H,4-17H2,1-3H3 |
| InChIKey | VZSJQINRZXYIGX-UHFFFAOYSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | CCCCCCCCCOC(C1C(C(=O)OC(CC)CC)CCCC1)=O |