![[1,1':4',1''-Terphenyl]-4-carbonitrile, 4''-pentyl-](/api/spectrum/1tFbdjUWrwN/structure.png?h=300&w=458 "[1,1':4',1''-Terphenyl]-4-carbonitrile, 4''-pentyl-")
| SpectraBase Compound ID | 8aTvZj3hyL8 |
|---|---|
| InChI | InChI=1S/C24H23N/c1-2-3-4-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(18-25)9-13-22/h6-17H,2-5H2,1H3 |
| InChIKey | AITQOXOBSMXBRV-UHFFFAOYSA-N |
| Mol Weight | 325.46 g/mol |
| Molecular Formula | C24H23N |
| Exact Mass | 325.18305 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1tFbdjUWrwN |
|---|---|
| Name | [1,1':4',1''-Terphenyl]-4-carbonitrile, 4''-pentyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.183049745 u |
| Formula | C24H23N |
| InChI | InChI=1S/C24H23N/c1-2-3-4-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(18-25)9-13-22/h6-17H,2-5H2,1H3 |
| InChIKey | AITQOXOBSMXBRV-UHFFFAOYSA-N |
| Molecular Weight | 325.455 g/mol |
| SMILES | C1=C(C=CC(=C1)CCCCC)C1=CC=C(C2=CC=C(C=C2)C#N)C=C1 |