| SpectraBase Compound ID | 3f2354RQCIo |
|---|---|
| InChI | InChI=1S/C21H40O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(3,19(2)22)20(23)24-4/h5-18H2,1-4H3 |
| InChIKey | JTICOFWPRLXQTL-UHFFFAOYSA-N |
| Mol Weight | 340.5 g/mol |
| Molecular Formula | C21H40O3 |
| Exact Mass | 340.297745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6fY9Fnm20ls |
|---|---|
| Name | Methyl 2-acetyl-2-methylheptadecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.297745145 u |
| Formula | C21H40O3 |
| InChI | InChI=1S/C21H40O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(3,19(2)22)20(23)24-4/h5-18H2,1-4H3 |
| InChIKey | JTICOFWPRLXQTL-UHFFFAOYSA-N |
| Molecular Weight | 340.548 g/mol |
| SMILES | CC(=O)C(C)(C(=O)OC)CCCCCCCCCCCCCCC |