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4-(Benzo[d][1,3]dioxol-4-yl)-1-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)-1,4-dihydropyridazine
SpectraBase Compound ID 6k4iqjWgLvc
InChI InChI=1S/C22H14BrF3N2O2/c23-17-8-9-18(14-5-2-1-4-13(14)17)28-11-10-16(21(27-28)22(24,25)26)15-6-3-7-19-20(15)30-12-29-19/h1-11,16H,12H2
InChIKey DKDONWVZVWORTA-UHFFFAOYSA-N
Mol Weight 475.27 g/mol
Molecular Formula C22H14BrF3N2O2
Exact Mass 474.019075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVZikSi8Ohe
Name 4-(Benzo[d][1,3]dioxol-4-yl)-1-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)-1,4-dihydropyridazine
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Formula C22H14BrF3N2O2
InChI InChI=1S/C22H14BrF3N2O2/c23-17-8-9-18(14-5-2-1-4-13(14)17)28-11-10-16(21(27-28)22(24,25)26)15-6-3-7-19-20(15)30-12-29-19/h1-11,16H,12H2
InChIKey DKDONWVZVWORTA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201301638
Molecular Weight 475.265 g/mol
SMILES C1(=NN(C=CC1c1cccc2c1OCO2)c1ccc(c2c1cccc2)Br)C(F)(F)F
SPLASH splash10-056r-0319800000-4c7e4abd048d9e89f5f4
Source of Spectrum ACI-52-SM8-4r
Wiley ID 1781331