| SpectraBase Compound ID | 6utviRZE0sK |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-4-6-7-8-9-10-11-15-19-25-21(23)17-13-12-14-18-22(24)26-20(3)16-5-2/h20H,4-19H2,1-3H3 |
| InChIKey | XLKMPKNBGFKPOO-UHFFFAOYSA-N |
| Mol Weight | 370.6 g/mol |
| Molecular Formula | C22H42O4 |
| Exact Mass | 370.30831 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 | 53WMzec9WgV |
|---|---|
| Name | Pimelic acid, decyl 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.308309828 u |
| Formula | C22H42O4 |
| InChI | InChI=1S/C22H42O4/c1-4-6-7-8-9-10-11-15-19-25-21(23)17-13-12-14-18-22(24)26-20(3)16-5-2/h20H,4-19H2,1-3H3 |
| InChIKey | XLKMPKNBGFKPOO-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(OC(C)CCC)(=O)CCCCCC(OCCCCCCCCCC)=O |