| SpectraBase Compound ID | 3m4lDWOCCsg |
|---|---|
| InChI | InChI=1S/C23H42O4/c1-4-7-8-9-10-11-12-15-18-26-22(24)20-16-13-14-17-21(20)23(25)27-19(5-2)6-3/h19-21H,4-18H2,1-3H3 |
| InChIKey | BACAGPLDOFOSBD-UHFFFAOYSA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C23H42O4 |
| Exact Mass | 382.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8mDPqesSr6m |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, decyl 3-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.308309828 u |
| Formula | C23H42O4 |
| InChI | InChI=1S/C23H42O4/c1-4-7-8-9-10-11-12-15-18-26-22(24)20-16-13-14-17-21(20)23(25)27-19(5-2)6-3/h19-21H,4-18H2,1-3H3 |
| InChIKey | BACAGPLDOFOSBD-UHFFFAOYSA-N |
| Molecular Weight | 382.585 g/mol |
| SMILES | CCCCCCCCCCOC(C1C(C(=O)OC(CC)CC)CCCC1)=O |