| SpectraBase Compound ID | ELjcbn8WR23 |
|---|---|
| InChI | InChI=1S/C25H46O4/c1-4-7-9-10-11-12-15-20-28-24(26)22-18-13-14-19-23(22)25(27)29-21(16-6-3)17-8-5-2/h21-23H,4-20H2,1-3H3 |
| InChIKey | FTSDQWVKKDXGDR-UHFFFAOYSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C25H46O4 |
| Exact Mass | 410.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5oQYmwnwza0 |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, nonyl 4-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.339609957 u |
| Formula | C25H46O4 |
| InChI | InChI=1S/C25H46O4/c1-4-7-9-10-11-12-15-20-28-24(26)22-18-13-14-19-23(22)25(27)29-21(16-6-3)17-8-5-2/h21-23H,4-20H2,1-3H3 |
| InChIKey | FTSDQWVKKDXGDR-UHFFFAOYSA-N |
| Molecular Weight | 410.639 g/mol |
| SMILES | CCCCCCCCCOC(C1C(C(=O)OC(CCCC)CCC)CCCC1)=O |