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8-CARBAMOYL-3-(2,2,2-TRIFLUORETHYL)-IMIDAZO-[5,1-D]-[1,2,3,5]-TETRAZIN-4(3H)-ONE
SpectraBase Compound ID CzkGTCVOHHC
InChI InChI=1S/C7H5F3N6O2/c8-7(9,10)1-16-6(18)15-2-12-3(4(11)17)5(15)13-14-16/h2H,1H2,(H2,11,17)
InChIKey FHDZVTOXTZKVKB-UHFFFAOYSA-N
Mol Weight 262.15 g/mol
Molecular Formula C7H5F3N6O2
Exact Mass 262.042608 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JHb4Op30o0y
Name 8-CARBAMOYL-3-(2,2,2-TRIFLUORETHYL)-IMIDAZO-[5,1-D]-[1,2,3,5]-TETRAZIN-4(3H)-ONE
Compound Number 3I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H5F3N6O2
InChI InChI=1S/C7H5F3N6O2/c8-7(9,10)1-16-6(18)15-2-12-3(4(11)17)5(15)13-14-16/h2H,1H2,(H2,11,17)
InChIKey FHDZVTOXTZKVKB-UHFFFAOYSA-N
Literature Reference Author Y.WANG,R.T.WHEELHOUSE,L.ZHAO,D.A.F.LANGNEL,M.F.G.STEVENS
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1669(1998)
Literature Reference DOI 10.1039/a800572i
Molecular Weight 262.151 g/mol
Solvent CDCl3
Source File Reference UWBS667