| SpectraBase Spectrum ID |
igHWQKQx3l |
| Name |
3-(4'-Fluoroanilino)-3-(3'-pyridyl)propionitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
241.101525561 u |
| Formula |
C14H12FN3 |
| InChI |
InChI=1S/C14H12FN3/c15-12-3-5-13(6-4-12)18-14(7-8-16)11-2-1-9-17-10-11/h1-6,9-10,14,18H,7H2 |
| InChIKey |
JMSYLXSPBFHAAF-UHFFFAOYSA-N |
| Molecular Weight |
241.269 g/mol |
| SMILES |
C(#N)CC(NC1=CC=C(C=C1)F)C=1C=NC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891921 |
