| SpectraBase Compound ID | KJfCiBDGlFQ |
|---|---|
| InChI | InChI=1S/C21H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(22)24-19-20(2)3/h20H,4-19H2,1-3H3 |
| InChIKey | FNJAOGBCVRPBHR-UHFFFAOYSA-N |
| Mol Weight | 342.6 g/mol |
| Molecular Formula | C21H42O3 |
| Exact Mass | 342.313395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JoGnLixmHfG |
|---|---|
| Name | Carbonic acid, hexadecyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.313395209 u |
| Formula | C21H42O3 |
| InChI | InChI=1S/C21H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(22)24-19-20(2)3/h20H,4-19H2,1-3H3 |
| InChIKey | FNJAOGBCVRPBHR-UHFFFAOYSA-N |
| Molecular Weight | 342.564 g/mol |
| SMILES | CC(COC(OCCCCCCCCCCCCCCCC)=O)C |