![4'-Dodecyl[1,1'-biphenyl]-4-carbonitrile](/api/spectrum/4wYJJF59Olc/structure.png?h=300&w=458 "4'-Dodecyl[1,1'-biphenyl]-4-carbonitrile")
| SpectraBase Compound ID | Hcqq1Qa6Lc2 |
|---|---|
| InChI | InChI=1S/C25H33N/c1-2-3-4-5-6-7-8-9-10-11-12-22-13-17-24(18-14-22)25-19-15-23(21-26)16-20-25/h13-20H,2-12H2,1H3 |
| InChIKey | YTXPODSLSFRTBJ-UHFFFAOYSA-N |
| Mol Weight | 347.5 g/mol |
| Molecular Formula | C25H33N |
| Exact Mass | 347.2613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4wYJJF59Olc |
|---|---|
| Name | 4'-Dodecyl[1,1'-biphenyl]-4-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.261300067 u |
| Formula | C25H33N |
| InChI | InChI=1S/C25H33N/c1-2-3-4-5-6-7-8-9-10-11-12-22-13-17-24(18-14-22)25-19-15-23(21-26)16-20-25/h13-20H,2-12H2,1H3 |
| InChIKey | YTXPODSLSFRTBJ-UHFFFAOYSA-N |
| Molecular Weight | 347.546 g/mol |
| SMILES | C(CCCCCCCCCCC)C1=CC=C(C=C1)C1=CC=C(C=C1)C#N |