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8-AMINO-4-P-FLUOROPHENYL-4,5-DIHYDRO-3H-PYRROLO-[3,4-F]-1,3,5-TRIAZEPIN-6-ONE
SpectraBase Compound ID 3TaBrgZI5Iy
InChI InChI=1S/C12H10FN5O/c13-7-3-1-6(2-4-7)11-16-5-15-8-9(17-11)12(19)18-10(8)14/h1-5,11,17H,(H,15,16)(H2,14,18,19)
InChIKey WUWGIJMZGOHNKR-UHFFFAOYSA-N
Mol Weight 259.24 g/mol
Molecular Formula C12H10FN5O
Exact Mass 259.086938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2oTDZDdmF08
Name 8-AMINO-4-P-FLUOROPHENYL-4,5-DIHYDRO-3H-PYRROLO-[3,4-F]-1,3,5-TRIAZEPIN-6-ONE
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H10FN5O
InChI InChI=1S/C12H10FN5O/c13-7-3-1-6(2-4-7)11-16-5-15-8-9(17-11)12(19)18-10(8)14/h1-5,11,17H,(H,15,16)(H2,14,18,19)
InChIKey WUWGIJMZGOHNKR-UHFFFAOYSA-N
Literature Reference Author M.J.ALVES,O.K.AL-DUAIJ,B.L.BOOTH,A.CARVALHO,P.R.EASTWOOD,M.F .J.R.P.PROENCA
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3571(1994)
Literature Reference DOI 10.1039/p19940003571
Molecular Weight 259.243 g/mol
Solvent CDCl3
Source File Reference UWRU4532