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8-AMINO-4-P-METHYLPHENYL-4,5-DIHYDRO-3H-PYRROLO-[3,4-F]-1,3,5-TRIAZEPIN-6-ONE
SpectraBase Compound ID 7enP3oUgEOZ
InChI InChI=1S/C13H13N5O/c1-7-2-4-8(5-3-7)12-16-6-15-9-10(17-12)13(19)18-11(9)14/h2-6,12,17H,1H3,(H,15,16)(H2,14,18,19)
InChIKey FJKOWTKPSJNXCB-UHFFFAOYSA-N
Mol Weight 255.28 g/mol
Molecular Formula C13H13N5O
Exact Mass 255.11201 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KT4cOX8jfZ2
Name 8-AMINO-4-P-METHYLPHENYL-4,5-DIHYDRO-3H-PYRROLO-[3,4-F]-1,3,5-TRIAZEPIN-6-ONE
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13N5O
InChI InChI=1S/C13H13N5O/c1-7-2-4-8(5-3-7)12-16-6-15-9-10(17-12)13(19)18-11(9)14/h2-6,12,17H,1H3,(H,15,16)(H2,14,18,19)
InChIKey FJKOWTKPSJNXCB-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 255.279 g/mol
Solvent DMSO-D6
Source File Reference UWRU4530