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1-{5'-[2"-Chloro-6"-(2"'-(p-fluorophenyl)vinylamino]pyridin-4'-yl}-2-(p-fluorophenyl)-(1,3,4)-oxadiazol-3'-yl)-ethanone
SpectraBase Compound ID 9D7997WND2Q
InChI InChI=1S/C22H16ClF2N5O2/c1-13(31)30-22(15-4-8-18(25)9-5-15)32-21(29-30)16-10-19(23)27-20(11-16)28-26-12-14-2-6-17(24)7-3-14/h2-12,22H,1H3,(H,27,28)
InChIKey ZXSOJJVTSORXQA-UHFFFAOYSA-N
Mol Weight 455.85 g/mol
Molecular Formula C22H16ClF2N5O2
Exact Mass 455.096059 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4d0yZq0hAob
Name 1-{5'-[2"-Chloro-6"-(2"'-(p-fluorophenyl)vinylamino]pyridin-4'-yl}-2-(p-fluorophenyl)-(1,3,4)-oxadiazol-3'-yl)-ethanone
Comments Less than 3 mono-isotopic peaks
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Formula C22H16ClF2N5O2
InChI InChI=1S/C22H16ClF2N5O2/c1-13(31)30-22(15-4-8-18(25)9-5-15)32-21(29-30)16-10-19(23)27-20(11-16)28-26-12-14-2-6-17(24)7-3-14/h2-12,22H,1H3,(H,27,28)
InChIKey ZXSOJJVTSORXQA-UHFFFAOYSA-N
Molecular Weight 455.853 g/mol
SMILES N(N=Cc1ccc(F)cc1)c1cc(C2=NN(C(O2)c2ccc(cc2)F)C(=O)C)cc(n1)Cl
SPLASH splash10-0ab9-0800900000-6798c5268ab88e697127
Source of Spectrum AH-139-1496-13
Wiley ID 1695932