| SpectraBase Spectrum ID |
4SfXwhfMJur |
| Name |
2-Cyclopropyl-4-(4-fluorophenyl)-6-[4-(2-methoxyphenyl)-1-piperazinyl]benzonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
427.205990631 u |
| Formula |
C27H26FN3O |
| InChI |
InChI=1S/C27H26FN3O/c1-32-27-5-3-2-4-25(27)30-12-14-31(15-13-30)26-17-21(19-8-10-22(28)11-9-19)16-23(20-6-7-20)24(26)18-29/h2-5,8-11,16-17,20H,6-7,12-15H2,1H3 |
| InChIKey |
QGFANCQKGMHPIE-UHFFFAOYSA-N |
| Molecular Weight |
427.523 g/mol |
| SMILES |
C(C=1C(=CC(=CC1N1CCN(CC1)C=1C(=CC=CC1)OC)C=1C=CC(=CC1)F)C1CC1)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816991 |
![2-Cyclopropyl-4-(4-fluorophenyl)-6-[4-(2-methoxyphenyl)-1-piperazinyl]benzonitrile](/api/spectrum/4SfXwhfMJur/structure.png?h=300&w=458 "2-Cyclopropyl-4-(4-fluorophenyl)-6-[4-(2-methoxyphenyl)-1-piperazinyl]benzonitrile")
