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3-(4-Nitrobenzamidomethyl)-6-(methoxy)-2-(3,4-methylenedioxyphenyl)imidazo-[1,2-b]pyridazine
SpectraBase Compound ID EpVQKdViqr0
InChI InChI=1S/C22H17N5O6/c1-31-20-9-8-19-24-21(14-4-7-17-18(10-14)33-12-32-17)16(26(19)25-20)11-23-22(28)13-2-5-15(6-3-13)27(29)30/h2-10H,11-12H2,1H3,(H,23,28)
InChIKey VQWKIPPJMMPXCU-UHFFFAOYSA-N
Mol Weight 447.41 g/mol
Molecular Formula C22H17N5O6
Exact Mass 447.117883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bc5O87jV8Tf
Name 3-(4-Nitrobenzamidomethyl)-6-(methoxy)-2-(3,4-methylenedioxyphenyl)imidazo-[1,2-b]pyridazine
Alternate Name(s) N-((2-(benzo[d][1,3]dioxol-5-yl)-6-methoxyimidazo[1,2-b]pyridazin-3-yl)methyl)-4-nitrobenzamide N-[[2-(1,3-benzodioxol-5-yl)-6-methoxy-3-imidazo[1,2-b]pyridazinyl]methyl]-4-nitrobenzamide N-[[2-(1,3-benzodioxol-5-yl)-6-methoxyimidazo[1,2-b]pyridazin-3-yl]methyl]-4-nitrobenzamide
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Formula C22H17N5O6
InChI InChI=1S/C22H17N5O6/c1-31-20-9-8-19-24-21(14-4-7-17-18(10-14)33-12-32-17)16(26(19)25-20)11-23-22(28)13-2-5-15(6-3-13)27(29)30/h2-10H,11-12H2,1H3,(H,23,28)
InChIKey VQWKIPPJMMPXCU-UHFFFAOYSA-N
Molecular Weight 447.407 g/mol
SMILES N(C(c1ccc(N(=O)=O)cc1)=O)Cc1[n]2c(nc1-c1cc3OCOc3cc1)C=CC(=N2)OC
SPLASH splash10-0002-1090300000-ee475c8f1640c9d99bfd
Source of Spectrum EMC-31-660-4w
Wiley ID 1734240