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3-(4-chlorophenyl)azo-7,8-difluoro-pyrimido[1,2-a]benzimidazol-4-amine
SpectraBase Compound ID J0T0nhuz9Cs
InChI InChI=1S/C16H9ClF2N6/c17-8-1-3-9(4-2-8)23-24-13-7-21-16-22-12-5-10(18)11(19)6-14(12)25(16)15(13)20/h1-7H,20H2
InChIKey OQIQNVPHRQXLCV-UHFFFAOYSA-N
Mol Weight 358.74 g/mol
Molecular Formula C16H9ClF2N6
Exact Mass 358.054528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F5SNbENFJHk
Name 3-(4-chlorophenyl)azo-7,8-difluoro-pyrimido[1,2-a]benzimidazol-4-amine
Appearance Bronze powder
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Formula C16H9ClF2N6
InChI InChI=1S/C16H9ClF2N6/c17-8-1-3-9(4-2-8)23-24-13-7-21-16-22-12-5-10(18)11(19)6-14(12)25(16)15(13)20/h1-7H,20H2
InChIKey OQIQNVPHRQXLCV-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00760
Molecular Weight 358.740 g/mol
SMILES NC=1[n]2c(nc3c2cc(F)c(c3)F)N=CC1N=Nc1ccc(cc1)Cl
SPLASH splash10-03di-4924000000-b1391d25067ecff6af19
Source of Spectrum JOC-86-SM29-7d
Wiley ID 1867783