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8-AMINO-4-PHENYL-4,5-DIHYDRO-3H-PYRROLO-[3,4-F]-1,3,5-TRIAZEPIN-6-ONE
SpectraBase Compound ID LXEQ016vQOk
InChI InChI=1S/C12H11N5O/c13-10-8-9(12(18)17-10)16-11(15-6-14-8)7-4-2-1-3-5-7/h1-6,11,16H,(H,14,15)(H2,13,17,18)
InChIKey AXHBYLYEOIHJDM-UHFFFAOYSA-N
Mol Weight 241.25 g/mol
Molecular Formula C12H11N5O
Exact Mass 241.09636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FmMXkDOy8go
Name 8-AMINO-4-PHENYL-4,5-DIHYDRO-3H-PYRROLO-[3,4-F]-1,3,5-TRIAZEPIN-6-ONE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11N5O
InChI InChI=1S/C12H11N5O/c13-10-8-9(12(18)17-10)16-11(15-6-14-8)7-4-2-1-3-5-7/h1-6,11,16H,(H,14,15)(H2,13,17,18)
InChIKey AXHBYLYEOIHJDM-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 241.252 g/mol
Solvent DMSO-D6
Source File Reference UWRU4529