| SpectraBase Compound ID | 9GSzFsGGDQs |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-5-8-18-25-21(23)16-13-11-9-10-12-14-17-22(24)26-20(7-3)19(4)15-6-2/h19-20H,5-18H2,1-4H3 |
| InChIKey | INJOKCBAXWDOPK-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 | HLDWPLOJHEe |
|---|---|
| Name | Sebacic acid, butyl 4-methylhept-3-yl 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/c1-5-8-18-25-21(23)16-13-11-9-10-12-14-17-22(24)26-20(7-3)19(4)15-6-2/h19-20H,5-18H2,1-4H3 |
| InChIKey | INJOKCBAXWDOPK-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(CCCCCCCC(OC(C(C)CCC)CC)=O)C(OCCCC)=O |