| SpectraBase Compound ID | LGPv7B45yMn |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-12(2)11-14(5)20-16(18)10-8-6-7-9-15(17)19-13(3)4/h12-14H,6-11H2,1-5H3 |
| InChIKey | GODUKMAQBAIDPT-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 | ETU9ksMn2XI |
|---|---|
| Name | Pimelic acid, 4-methyl-2-pentyl 2-propyl 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/c1-12(2)11-14(5)20-16(18)10-8-6-7-9-15(17)19-13(3)4/h12-14H,6-11H2,1-5H3 |
| InChIKey | GODUKMAQBAIDPT-UHFFFAOYSA-N |
| SMILES | C(OC(C)C)(=O)CCCCCC(OC(CC(C)C)C)=O |