| SpectraBase Compound ID | fd8lAs77Fm |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-5-6-18-25-21(23)16-11-9-7-8-10-12-17-22(24)26-20(4)15-13-14-19(2)3/h19-20H,5-18H2,1-4H3 |
| InChIKey | XUZSAUROOJRFGL-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 | Lr5zOS9frVA |
|---|---|
| Name | Sebacic acid, butyl 6-methylhept-2-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/c1-5-6-18-25-21(23)16-11-9-7-8-10-12-17-22(24)26-20(4)15-13-14-19(2)3/h19-20H,5-18H2,1-4H3 |
| InChIKey | XUZSAUROOJRFGL-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(CCCCCCCC(OC(CCCC(C)C)C)=O)C(OCCCC)=O |