| SpectraBase Compound ID | B69HBfk6Eok |
|---|---|
| InChI | InChI=1S/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(25)26-22-19-20-23(2)3/h23H,4-22H2,1-3H3 |
| InChIKey | QAVGGDHXVIJOBB-UHFFFAOYSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C24H48O2 |
| Exact Mass | 368.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hq1Dn04njxR |
|---|---|
| Name | Stearic acid, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.365430784 u |
| Formula | C24H48O2 |
| InChI | InChI=1S/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(25)26-22-19-20-23(2)3/h23H,4-22H2,1-3H3 |
| InChIKey | QAVGGDHXVIJOBB-UHFFFAOYSA-N |
| Molecular Weight | 368.646 g/mol |
| SMILES | C(=O)(OCCCC(C)C)CCCCCCCCCCCCCCCCC |