| SpectraBase Compound ID | JwnpCUq1RYK |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-6-7-8-9-13-16-25-20(23)14-11-10-12-15-21(24)26-18-19(2)17-22(3,4)5/h19H,6-18H2,1-5H3 |
| InChIKey | UZGOCPYKYYESOO-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 | AOzmRC8DpsW |
|---|---|
| Name | Pimelic acid, heptyl 2,4,4-trimethylpentyl 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/c1-6-7-8-9-13-16-25-20(23)14-11-10-12-15-21(24)26-18-19(2)17-22(3,4)5/h19H,6-18H2,1-5H3 |
| InChIKey | UZGOCPYKYYESOO-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(OCC(C)CC(C)(C)C)(=O)CCCCCC(OCCCCCCC)=O |