| SpectraBase Compound ID | 1lpqfknEB3K |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-5-6-7-12-15-18-25-20(23)16-13-10-8-9-11-14-17-21(24)26-19-22(2,3)4/h5-19H2,1-4H3 |
| InChIKey | DQKAYUGBQBLMAS-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 | BxpntXdvKsx |
|---|---|
| Name | Sebacic acid, heptyl neopentyl 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/c1-5-6-7-12-15-18-25-20(23)16-13-10-8-9-11-14-17-21(24)26-19-22(2,3)4/h5-19H2,1-4H3 |
| InChIKey | DQKAYUGBQBLMAS-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(CCCCCCCC(OCC(C)(C)C)=O)C(OCCCCCCC)=O |