| SpectraBase Compound ID | GwDzpjMb33i |
|---|---|
| InChI | InChI=1S/C46H94/c1-5-9-13-17-21-25-29-33-39-45(40-34-30-26-22-18-14-10-6-2)43-37-38-44-46(41-35-31-27-23-19-15-11-7-3)42-36-32-28-24-20-16-12-8-4/h45-46H,5-44H2,1-4H3 |
| InChIKey | DJOOEZMZUMXNFD-UHFFFAOYSA-N |
| Mol Weight | 647.3 g/mol |
| Molecular Formula | C46H94 |
| Exact Mass | 646.735553 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KqMaXPYdX4B |
|---|---|
| Name | 11,16-bis-Decyl-hexacosane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 646.735553027 u |
| Formula | C46H94 |
| InChI | InChI=1S/C46H94/c1-5-9-13-17-21-25-29-33-39-45(40-34-30-26-22-18-14-10-6-2)43-37-38-44-46(41-35-31-27-23-19-15-11-7-3)42-36-32-28-24-20-16-12-8-4/h45-46H,5-44H2,1-4H3 |
| InChIKey | DJOOEZMZUMXNFD-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCC(CCCCCCCCCC)CCCCC(CCCCCCCCCC)CCCCCCCCCC |