| SpectraBase Compound ID | KuBSE8VSzkm |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-4-6-8-10-14-18(3)24-20(22)16-12-11-15-19(21)23-17-13-9-7-5-2/h18H,4-17H2,1-3H3 |
| InChIKey | JYZCHAWPFPRUAT-UHFFFAOYSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C20H38O4 |
| Exact Mass | 342.27701 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 | 2v9nQV162Xd |
|---|---|
| Name | Adipic acid, hexyl 2-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.277009700 u |
| Formula | C20H38O4 |
| InChI | InChI=1S/C20H38O4/c1-4-6-8-10-14-18(3)24-20(22)16-12-11-15-19(21)23-17-13-9-7-5-2/h18H,4-17H2,1-3H3 |
| InChIKey | JYZCHAWPFPRUAT-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(CC(OC(=O)CCCCC(OCCCCCC)=O)C)CCCC |