| SpectraBase Compound ID | 3p3CM5ONPvu |
|---|---|
| InChI | InChI=1S/C18H31N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h15-18H,2-13H2,1H3/t15-,16-,17-,18- |
| InChIKey | HWMHRQOJZXBQBL-OPMHRUBESA-N |
| Mol Weight | 261.45 g/mol |
| Molecular Formula | C18H31N |
| Exact Mass | 261.24565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GpFhcZbf8og |
|---|---|
| Name | 4'-Pentyl-1,1'-bi(cyclohexyl)-4-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.245650002 u |
| Formula | C18H31N |
| InChI | InChI=1S/C18H31N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h15-18H,2-13H2,1H3/t15-,16-,17-,18- |
| InChIKey | HWMHRQOJZXBQBL-OPMHRUBESA-N |
| Molecular Weight | 261.453 g/mol |
| SMILES | C(CCCC)[C@]1(CC[C@@](CC1)([C@]1(CC[C@@](CC1)(C#N)[H])[H])[H])[H] |