| SpectraBase Compound ID | IhAATljSuSN |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-4-7-8-9-13-16-23-19(21)14-11-10-12-15-20(22)24-17-18(5-2)6-3/h18H,4-17H2,1-3H3 |
| InChIKey | VYISDKMFBNTKAS-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 | L0LLhosk3Bv |
|---|---|
| Name | Pimelic acid, 2-ethylbutyl heptyl 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/c1-4-7-8-9-13-16-23-19(21)14-11-10-12-15-20(22)24-17-18(5-2)6-3/h18H,4-17H2,1-3H3 |
| InChIKey | VYISDKMFBNTKAS-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(OCC(CC)CC)(=O)CCCCCC(OCCCCCCC)=O |