| SpectraBase Compound ID | 2A1wDkAIPpp |
|---|---|
| InChI | InChI=1S/C20H40O3/c1-18(21)15-13-11-9-7-5-6-8-10-12-14-16-20(2,3)17-19(22)23-4/h18,21H,5-17H2,1-4H3 |
| InChIKey | IMAQZKHNUMIPHU-UHFFFAOYSA-N |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C20H40O3 |
| Exact Mass | 328.297745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ct4j41yNXFY |
|---|---|
| Name | Methyl 16-hydroxy-3,3-dimethylheptadecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.297745145 u |
| Formula | C20H40O3 |
| InChI | InChI=1S/C20H40O3/c1-18(21)15-13-11-9-7-5-6-8-10-12-14-16-20(2,3)17-19(22)23-4/h18,21H,5-17H2,1-4H3 |
| InChIKey | IMAQZKHNUMIPHU-UHFFFAOYSA-N |
| Molecular Weight | 328.537 g/mol |
| SMILES | C(=O)(CC(CCCCCCCCCCCCC(O)C)(C)C)OC |