SpectraBase Spectrum ID |
6CY6unKy1z1 |
Name |
1-(4-Bromophenyl)-3-phenyl-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 |
314.041861491 u |
Formula |
C16H15BrN2 |
InChI |
InChI=1S/C16H15BrN2/c17-14-8-10-15(11-9-14)19-12-4-7-16(18-19)13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2 |
InChIKey |
SKJVUKXJTZKKSB-UHFFFAOYSA-N |
Molecular Weight |
315.214 g/mol |
SMILES |
C1=CC(=CC=C1Br)N1CCCC(=N1)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939403 |