| SpectraBase Compound ID | LkLB6dFmK1C |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-5-14(6-2)12-19-15(17)10-8-7-9-11-16(18)20-13(3)4/h13-14H,5-12H2,1-4H3 |
| InChIKey | LXWUHVJFWKJZQH-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 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 | 6869JduWOvn |
|---|---|
| Name | Pimelic acid, 2-ethylbutyl isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.214409442 u |
| Formula | C16H30O4 |
| InChI | InChI=1S/C16H30O4/c1-5-14(6-2)12-19-15(17)10-8-7-9-11-16(18)20-13(3)4/h13-14H,5-12H2,1-4H3 |
| InChIKey | LXWUHVJFWKJZQH-UHFFFAOYSA-N |
| SMILES | C(OCC(CC)CC)(=O)CCCCCC(OC(C)C)=O |