SpectraBase Spectrum ID |
DSeJNyAFI3b |
Name |
3-Cyclopropyl-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 |
245.116426733 u |
Formula |
C13H15N3O2 |
InChI |
InChI=1S/C13H15N3O2/c17-16(18)12-7-5-11(6-8-12)15-9-1-2-13(14-15)10-3-4-10/h5-8,10H,1-4,9H2 |
InChIKey |
NHNGZXUMYGLZDI-UHFFFAOYSA-N |
Molecular Weight |
245.282 g/mol |
SMILES |
C1=C(C=CC(=C1)N(=O)=O)N1CCCC(=N1)C1CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899129 |