| SpectraBase Compound ID | GggSxihTocp |
|---|---|
| InChI | InChI=1S/C24H44O4/c1-3-5-7-9-10-12-16-20-28-24(26)22-18-14-13-17-21(22)23(25)27-19-15-11-8-6-4-2/h21-22H,3-20H2,1-2H3 |
| InChIKey | YWRCIMHJSXWWRC-UHFFFAOYSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C24H44O4 |
| Exact Mass | 396.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EkOcnimHDg9 |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, heptyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.323959893 u |
| Formula | C24H44O4 |
| InChI | InChI=1S/C24H44O4/c1-3-5-7-9-10-12-16-20-28-24(26)22-18-14-13-17-21(22)23(25)27-19-15-11-8-6-4-2/h21-22H,3-20H2,1-2H3 |
| InChIKey | YWRCIMHJSXWWRC-UHFFFAOYSA-N |
| Molecular Weight | 396.612 g/mol |
| SMILES | CCCCCCCCCOC(C1C(C(=O)OCCCCCCC)CCCC1)=O |