| SpectraBase Compound ID | 2fpjUVHhaS0 |
|---|---|
| InChI | InChI=1S/C31H62/c1-3-5-7-9-11-13-15-17-19-22-26-30(31-28-24-21-25-29-31)27-23-20-18-16-14-12-10-8-6-4-2/h30-31H,3-29H2,1-2H3 |
| InChIKey | DLFCYTDOKTZLIJ-UHFFFAOYSA-N |
| Mol Weight | 434.8 g/mol |
| Molecular Formula | C31H62 |
| Exact Mass | 434.485152 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C3jlL4qZESJ |
|---|---|
| Name | Pentacosane, 13-cyclohexyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 434.485151996 u |
| Formula | C31H62 |
| InChI | InChI=1S/C31H62/c1-3-5-7-9-11-13-15-17-19-22-26-30(31-28-24-21-25-29-31)27-23-20-18-16-14-12-10-8-6-4-2/h30-31H,3-29H2,1-2H3 |
| InChIKey | DLFCYTDOKTZLIJ-UHFFFAOYSA-N |
| Molecular Weight | 434.837 g/mol |
| SMILES | C(CCCCCCCCCCCC)(CCCCCCCCCCCC)C1CCCCC1 |