| SpectraBase Compound ID | KWbeLc1ShCS |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-6-14-19(5)20(7-2)26-22(24)16-13-11-9-8-10-12-15-21(23)25-17-18(3)4/h18-20H,6-17H2,1-5H3 |
| InChIKey | QPWKPGOSDDTMIK-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 | 57g4RMkfkJJ |
|---|---|
| Name | Sebacic acid, isobutyl 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/c1-6-14-19(5)20(7-2)26-22(24)16-13-11-9-8-10-12-15-21(23)25-17-18(3)4/h18-20H,6-17H2,1-5H3 |
| InChIKey | QPWKPGOSDDTMIK-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(CCCCCCCC(OC(C(C)CCC)CC)=O)C(OCC(C)C)=O |