| SpectraBase Spectrum ID |
49fXYZwBEMZ |
| Name |
Pyridine, 2-(2-(2-nitrophenyl)ethenyl)-, trans |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.074227568 u |
| Formula |
C13H10N2O2 |
| InChI |
InChI=1S/C13H10N2O2/c16-15(17)13-7-2-1-5-11(13)8-9-12-6-3-4-10-14-12/h1-10H/b9-8+ |
| InChIKey |
YADNATDOWRSAOC-CMDGGOBGSA-N |
| Molecular Weight |
226.235 g/mol |
| SMILES |
C1(N(=O)=O)=CC=CC=C1\C=C\C1=CC=CC=N1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964779 |
