| SpectraBase Compound ID | Hi6ClNpThu4 |
|---|---|
| InChI | InChI=1S/C22H44O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21(23)22(2,3)4/h5-20H2,1-4H3 |
| InChIKey | VKSYZSDUMWBZKO-UHFFFAOYSA-N |
| Mol Weight | 340.6 g/mol |
| Molecular Formula | C22H44O2 |
| Exact Mass | 340.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 478MF6jXo3K |
|---|---|
| Name | 2,2-Dimethylpropanoic acid, heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.334130655 u |
| Formula | C22H44O2 |
| InChI | InChI=1S/C22H44O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21(23)22(2,3)4/h5-20H2,1-4H3 |
| InChIKey | VKSYZSDUMWBZKO-UHFFFAOYSA-N |
| Molecular Weight | 340.592 g/mol |
| SMILES | C(CCCCCCCCCCCC)CCCCOC(C(C)(C)C)=O |