| SpectraBase Compound ID | 7FLa6EZDpXU |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-4-6-9-12-21-17(19)15-10-7-8-11-16(15)18(20)22-13-14(3)5-2/h14-16H,4-13H2,1-3H3 |
| InChIKey | LNWJBMFEEZSWPB-UHFFFAOYSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C18H32O4 |
| Exact Mass | 312.23006 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 | 1r2kvrtsgW8 |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 2-methylbutyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.230059506 u |
| Formula | C18H32O4 |
| InChI | InChI=1S/C18H32O4/c1-4-6-9-12-21-17(19)15-10-7-8-11-16(15)18(20)22-13-14(3)5-2/h14-16H,4-13H2,1-3H3 |
| InChIKey | LNWJBMFEEZSWPB-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | CC(CC)COC(C1CCCCC1C(OCCCCC)=O)=O |