| SpectraBase Compound ID | 6r1uLjtWQTn |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-4-6-16-23-19(21)13-11-9-7-8-10-12-14-20(22)24-17-15-18(3)5-2/h18H,4-17H2,1-3H3 |
| InChIKey | MQUNFEPWWZEBSK-UHFFFAOYSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C20H38O4 |
| Exact Mass | 342.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2BZ7oibZEsE |
|---|---|
| Name | Sebacic acid, butyl 3-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.277009700 u |
| Formula | C20H38O4 |
| InChI | InChI=1S/C20H38O4/c1-4-6-16-23-19(21)13-11-9-7-8-10-12-14-20(22)24-17-15-18(3)5-2/h18H,4-17H2,1-3H3 |
| InChIKey | MQUNFEPWWZEBSK-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(CCCCCCCCC(OCCCC)=O)(OCCC(CC)C)=O |