| SpectraBase Compound ID | Gef9l8m1G4C |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-5-13(6-2)21-17(19)15-11-9-10-12-16(15)18(20)22-14(7-3)8-4/h13-16H,5-12H2,1-4H3 |
| InChIKey | PQRTUPNVZPSXBI-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 | 843pCCNnmjG |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, di(3-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/c1-5-13(6-2)21-17(19)15-11-9-10-12-16(15)18(20)22-14(7-3)8-4/h13-16H,5-12H2,1-4H3 |
| InChIKey | PQRTUPNVZPSXBI-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | CCC(CC)OC(C1C(C(=O)OC(CC)CC)CCCC1)=O |