| SpectraBase Compound ID | 4t1jmrVc3i2 |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-6-14(4)15(5)21-17(19)11-9-7-8-10-16(18)20-12-13(2)3/h13-15H,6-12H2,1-5H3 |
| InChIKey | ZFJVGEPFLZXJRQ-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 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 | 7Z67J0pbV2Q |
|---|---|
| Name | Pimelic acid, isobutyl 3-methyl-2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.230059506 u |
| Formula | C17H32O4 |
| InChI | InChI=1S/C17H32O4/c1-6-14(4)15(5)21-17(19)11-9-7-8-10-16(18)20-12-13(2)3/h13-15H,6-12H2,1-5H3 |
| InChIKey | ZFJVGEPFLZXJRQ-UHFFFAOYSA-N |
| SMILES | C(OC(C(C)CC)C)(=O)CCCCCC(OCC(C)C)=O |