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FOFMHBQLFBSFNS-UHFFFAOYSA-N
SpectraBase Compound ID IHt2jbuD92
InChI InChI=1S/C13H13N3O/c14-9-11(13-15-7-4-8-16-13)12(17)10-5-2-1-3-6-10/h1-3,5-6,15-16H,4,7-8H2
InChIKey FOFMHBQLFBSFNS-UHFFFAOYSA-N
Mol Weight 227.27 g/mol
Molecular Formula C13H13N3O
Exact Mass 227.105862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 55pphvWgmj8
Name BETA-OXO-ALPHA-[TETRAHYDRO-2(1H)-PYRIMIDINYLINDENE]-BENZENEPROPANENITRILE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13N3O
InChI InChI=1S/C13H13N3O/c14-9-11(13-15-7-4-8-16-13)12(17)10-5-2-1-3-6-10/h1-3,5-6,15-16H,4,7-8H2
InChIKey FOFMHBQLFBSFNS-UHFFFAOYSA-N
Literature Reference Author E.KLEINPETER,S.KLOD,W.D.RUDORF
Literature Reference Citation J.ORG.CHEM.,69,4317(2004)
Literature Reference DOI 10.1021/jo0496345
Molecular Weight 227.266 g/mol
Solvent CDCl3
Source File Reference UWVN21703