| SpectraBase Compound ID | BwMfD9bku2 |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-6-7-14-17-25-20(23)15-12-10-8-9-11-13-16-21(24)26-22(18(2)3)19(4)5/h18-19,22H,6-17H2,1-5H3 |
| InChIKey | LKIINCXMPDZXAK-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 | FZmp2H1rXkO |
|---|---|
| Name | Sebacic acid, 2,4-dimethylpent-3-yl 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/c1-6-7-14-17-25-20(23)15-12-10-8-9-11-13-16-21(24)26-22(18(2)3)19(4)5/h18-19,22H,6-17H2,1-5H3 |
| InChIKey | LKIINCXMPDZXAK-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(CCCCC(OC(C(C)C)C(C)C)=O)CCCC(OCCCCC)=O |