| SpectraBase Compound ID | 2Y31vV2h8fd |
|---|---|
| InChI | InChI=1S/C39H80/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38(3)36-33-37-39(4)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h38-39H,5-37H2,1-4H3 |
| InChIKey | JFFONUMNQVVGPB-UHFFFAOYSA-N |
| Mol Weight | 549.1 g/mol |
| Molecular Formula | C39H80 |
| Exact Mass | 548.626003 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DEFa497DkQG |
|---|---|
| Name | 17,21-Dimethylheptatriacontane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 548.626002576 u |
| Formula | C39H80 |
| InChI | InChI=1S/C39H80/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38(3)36-33-37-39(4)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h38-39H,5-37H2,1-4H3 |
| InChIKey | JFFONUMNQVVGPB-UHFFFAOYSA-N |
| Molecular Weight | 549.069 g/mol |
| SMILES | CCCCCCCCCCCCCCCCC(CCCC(CCCCCCCCCCCCCCCC)C)C |