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7-Chloro-4-(5'-(dichloromethyl)-4'-nitro-1'H-[1,3'-bipyrazol]-1'-yl)quinoline
SpectraBase Compound ID BJpEZC8dDu8
InChI InChI=1S/C16H9Cl3N6O2/c17-9-2-3-10-11(8-9)20-6-4-12(10)24-13(15(18)19)14(25(26)27)16(22-24)23-7-1-5-21-23/h1-8,15H
InChIKey QTOIDUQVLQVVDZ-UHFFFAOYSA-N
Mol Weight 423.65 g/mol
Molecular Formula C16H9Cl3N6O2
Exact Mass 421.985257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 247IEnnhR2
Name 7-Chloro-4-(5'-(dichloromethyl)-4'-nitro-1'H-[1,3'-bipyrazol]-1'-yl)quinoline
Appearance Light yellow solid
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Exact Mass 421.985256652 u
Formula C16H9Cl3N6O2
InChI InChI=1S/C16H9Cl3N6O2/c17-9-2-3-10-11(8-9)20-6-4-12(10)24-13(15(18)19)14(25(26)27)16(22-24)23-7-1-5-21-23/h1-8,15H
InChIKey QTOIDUQVLQVVDZ-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 5989B
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.18.54
Molecular Weight 423.647 g/mol
Quality 258
Reported Formula C16H9Cl3N6O2
SMILES C12=C(C=CN=C2C=C(C=C1)Cl)N1N=C(C(=C1C(Cl)Cl)[N+]([O-])=O)N1C=CC=N1
SPLASH splash10-00di-3203900000-60421f487afb0da23374
Source of Spectrum BJO-18-SM4-3a (DOI: 10.3762/bjoc.18.54)
Wiley ID 1901293