| SpectraBase Compound ID | F8mKEtiDKYx |
|---|---|
| InChI | InChI=1S/C19H32O4/c1-3-4-13-22-18(20)15-10-6-7-11-16(15)19(21)23-17-12-8-5-9-14(17)2/h14-17H,3-13H2,1-2H3 |
| InChIKey | PUUCICBQTSLTHS-UHFFFAOYSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C19H32O4 |
| Exact Mass | 324.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CMabqCC6rDf |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, butyl 2-methylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.230059506 u |
| Formula | C19H32O4 |
| InChI | InChI=1S/C19H32O4/c1-3-4-13-22-18(20)15-10-6-7-11-16(15)19(21)23-17-12-8-5-9-14(17)2/h14-17H,3-13H2,1-2H3 |
| InChIKey | PUUCICBQTSLTHS-UHFFFAOYSA-N |
| Molecular Weight | 324.461 g/mol |
| SMILES | CCCCOC(C1C(C(=O)OC2C(CCCC2)C)CCCC1)=O |