| SpectraBase Compound ID | JuDTDQ2cTBh |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-6-7-8-15-18-25-20(23)16-13-11-9-10-12-14-17-21(24)26-19(2)22(3,4)5/h19H,6-18H2,1-5H3 |
| InChIKey | RMDMVFUKCSPOBW-UHFFFAOYSA-N |
| Mol Weight | 370.6 g/mol |
| Molecular Formula | C22H42O4 |
| Exact Mass | 370.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A4eTwGChwla |
|---|---|
| Name | Sebacic acid, 3,3-dimethylbut-2-yl hexyl 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/c1-6-7-8-15-18-25-20(23)16-13-11-9-10-12-14-17-21(24)26-19(2)22(3,4)5/h19H,6-18H2,1-5H3 |
| InChIKey | RMDMVFUKCSPOBW-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(CCCCCCCCC(OC(C(C)(C)C)C)=O)(OCCCCCC)=O |