SpectraBase Spectrum ID |
LONfzNrivXB |
Name |
3-Methyl-1-(4-nitrophenyl)-5,6-dihydro-4H-pyridazine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
219.100776669 u |
Formula |
C11H13N3O2 |
InChI |
InChI=1S/C11H13N3O2/c1-9-3-2-8-13(12-9)10-4-6-11(7-5-10)14(15)16/h4-7H,2-3,8H2,1H3 |
InChIKey |
WSFLFKCIYYNKGF-UHFFFAOYSA-N |
Molecular Weight |
219.244 g/mol |
SMILES |
C1=CC(=CC=C1N(=O)=O)N1CCCC(C)=N1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924772 |