| SpectraBase Compound ID | E0zJBjtHZe0 |
|---|---|
| InChI | InChI=1S/C14H26O4/c1-4-12(3)11-18-14(16)10-8-6-7-9-13(15)17-5-2/h12H,4-11H2,1-3H3 |
| InChIKey | SSQGWVASQQMEDO-UHFFFAOYSA-N |
| Mol Weight | 258.36 g/mol |
| Molecular Formula | C14H26O4 |
| Exact Mass | 258.183109 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 | F9u87zZUiAY |
|---|---|
| Name | Pimelic acid, ethyl 2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.183109313 u |
| Formula | C14H26O4 |
| InChI | InChI=1S/C14H26O4/c1-4-12(3)11-18-14(16)10-8-6-7-9-13(15)17-5-2/h12H,4-11H2,1-3H3 |
| InChIKey | SSQGWVASQQMEDO-UHFFFAOYSA-N |
| Molecular Weight | 258.358 g/mol |
| SMILES | C(OCC(C)CC)(=O)CCCCCC(OCC)=O |