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N-BENZYL-2-(1,3-DIOXO-2-PHENYL-2,3,5,8-TETRAHYDRO-1H-[1,2,4]-TRIAZOLO-[1,2A]-PYRIDAZIN-6-YL)-2,2-DIFLUOROACETAMIDE
SpectraBase Compound ID Ix2wUY6Uww0
InChI InChI=1S/C21H18F2N4O3/c22-21(23,18(28)24-13-15-7-3-1-4-8-15)16-11-12-25-19(29)27(20(30)26(25)14-16)17-9-5-2-6-10-17/h1-11H,12-14H2,(H,24,28)
InChIKey LMYAEKVGHKHMJH-UHFFFAOYSA-N
Mol Weight 412.4 g/mol
Molecular Formula C21H18F2N4O3
Exact Mass 412.134697 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7k7A9pw7lhJ
Name N-BENZYL-2-(1,3-DIOXO-2-PHENYL-2,3,5,8-TETRAHYDRO-1H-[1,2,4]-TRIAZOLO-[1,2A]-PYRIDAZIN-6-YL)-2,2-DIFLUOROACETAMIDE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18F2N4O3
InChI InChI=1S/C21H18F2N4O3/c22-21(23,18(28)24-13-15-7-3-1-4-8-15)16-11-12-25-19(29)27(20(30)26(25)14-16)17-9-5-2-6-10-17/h1-11H,12-14H2,(H,24,28)
InChIKey LMYAEKVGHKHMJH-UHFFFAOYSA-N
Literature Reference Author S.FUSTERO,P.BELLO,J.MIRO,M.SANCHEZ-ROSELLO,G.HAUFE,C.DELPOZO
Literature Reference Citation BEIL.J.ORG.CHEM.,9,2688(2013)
Literature Reference DOI 10.3762/bjoc.9.305
Solvent CDCl3
Source File Reference UWLU77875