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1-(4-Bromobenzyl)-7-methylpyrido[3,4-d]pyridazine-4,5(3H,6H)-dione
SpectraBase Compound ID J4p27XHTD0C
InChI InChI=1S/C15H12BrN3O2/c1-8-6-11-12(7-9-2-4-10(16)5-3-9)18-19-15(21)13(11)14(20)17-8/h2-6H,7H2,1H3,(H,17,20)(H,19,21)
InChIKey DSTGAXVFBYPWOL-UHFFFAOYSA-N
Mol Weight 346.18 g/mol
Molecular Formula C15H12BrN3O2
Exact Mass 345.01129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9c2M0d943WD
Name 1-(4-Bromobenzyl)-7-methylpyrido[3,4-d]pyridazine-4,5(3H,6H)-dione
CAS Registry Number 296798-69-1
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12BrN3O2
InChI InChI=1S/C15H12BrN3O2/c1-8-6-11-12(7-9-2-4-10(16)5-3-9)18-19-15(21)13(11)14(20)17-8/h2-6H,7H2,1H3,(H,17,20)(H,19,21)
InChIKey DSTGAXVFBYPWOL-UHFFFAOYSA-N
Molecular Weight 346.184 g/mol
SMILES N1N=C(C2=C(C(NC(=C2)C)=O)C1=O)Cc1ccc(cc1)Br
SPLASH splash10-0002-9625000000-0494188a535631e0247d
Synonyms 1-[(4-bromophenyl)methyl]-7-methyl-3,6-dihydropyrido[3,4-d]pyridazine-4,5-dione 1-(4-bromobenzyl)-7-methyl-3,6-dihydropyrido[3,4-d]pyridazine-4,5-quinone
Wiley ID 1467800