SpectraBase Spectrum ID |
2lahfdDNOZB |
Name |
3-(4-Fluoro-phenyl)-N-pyridin-3-ylmethyl-acrylamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
256.101191209 u |
Formula |
C15H13FN2O |
InChI |
InChI=1S/C15H13FN2O/c16-14-6-3-12(4-7-14)5-8-15(19)18-11-13-2-1-9-17-10-13/h1-10H,11H2,(H,18,19)/b8-5+ |
InChIKey |
HXSXTDNPFWAZQI-VMPITWQZSA-N |
Molecular Weight |
256.280 g/mol |
SMILES |
C1(\C=C\C(NCC2=CC=CN=C2)=O)=CC=C(C=C1)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832279 |