| SpectraBase Compound ID | 7pJjQRzvsyi |
|---|---|
| InChI | InChI=1S/C23H46O2/c1-4-6-8-10-11-12-13-14-15-17-19-21-23(25-22(3)24)20-18-16-9-7-5-2/h23H,4-21H2,1-3H3 |
| InChIKey | RCRNDXCEGSYTFZ-UHFFFAOYSA-N |
| Mol Weight | 354.6 g/mol |
| Molecular Formula | C23H46O2 |
| Exact Mass | 354.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3MESgfjBJ8N |
|---|---|
| Name | 8-Acetoxyheneicosane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.349780719 u |
| Formula | C23H46O2 |
| InChI | InChI=1S/C23H46O2/c1-4-6-8-10-11-12-13-14-15-17-19-21-23(25-22(3)24)20-18-16-9-7-5-2/h23H,4-21H2,1-3H3 |
| InChIKey | RCRNDXCEGSYTFZ-UHFFFAOYSA-N |
| Molecular Weight | 354.619 g/mol |
| SMILES | C(C(CCCCCCCCCCCCC)OC(=O)C)CCCCCC |