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4-(1-(4-Bromonaphthalen-1-yl)-3-(trifluoromethyl)-1,4-dihydropyridazin-4-yl)benzonitrile
SpectraBase Compound ID DRtHiEB8np
InChI InChI=1S/C22H13BrF3N3/c23-19-9-10-20(18-4-2-1-3-17(18)19)29-12-11-16(21(28-29)22(24,25)26)15-7-5-14(13-27)6-8-15/h1-12,16H
InChIKey UYHFXDJWBBLERS-UHFFFAOYSA-N
Mol Weight 456.27 g/mol
Molecular Formula C22H13BrF3N3
Exact Mass 455.024495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID guPPtOZhw
Name 4-(1-(4-Bromonaphthalen-1-yl)-3-(trifluoromethyl)-1,4-dihydropyridazin-4-yl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H13BrF3N3
InChI InChI=1S/C22H13BrF3N3/c23-19-9-10-20(18-4-2-1-3-17(18)19)29-12-11-16(21(28-29)22(24,25)26)15-7-5-14(13-27)6-8-15/h1-12,16H
InChIKey UYHFXDJWBBLERS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201301638
Molecular Weight 456.266 g/mol
SMILES c1(N2N=C(C(C=C2)c2ccc(cc2)C#N)C(F)(F)F)ccc(c2c1cccc2)Br
SPLASH splash10-0a4i-0219400000-3c91cadccc5ca231da14
Source of Spectrum ACI-52-SM7-4p
Wiley ID 1781329