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3-DIMETHYLAMINO-2,4-DIAZABICYCLO-[4.2.0]-OCTA-1-(6),2-DIEN-5-ONE
SpectraBase Compound ID BXjPlurIvir
InChI InChI=1S/C8H11N3O/c1-11(2)8-9-6-4-3-5(6)7(12)10-8/h3-4H2,1-2H3,(H,9,10,12)
InChIKey PBDUUYLAHAMSMZ-UHFFFAOYSA-N
Mol Weight 165.2 g/mol
Molecular Formula C8H11N3O
Exact Mass 165.090212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Y93G1ERA9C
Name 3-DIMETHYLAMINO-2,4-DIAZABICYCLO-[4.2.0]-OCTA-1-(6),2-DIEN-5-ONE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H11N3O
InChI InChI=1S/C8H11N3O/c1-11(2)8-9-6-4-3-5(6)7(12)10-8/h3-4H2,1-2H3,(H,9,10,12)
InChIKey PBDUUYLAHAMSMZ-UHFFFAOYSA-N
Literature Reference Author M.W.NOETZEL,K.RAUCH,T.LABAHN,A.DEMEIJERE
Literature Reference Citation ORG.LETTERS,4,839(2002)
Literature Reference DOI 10.1021/ol025530+
Molecular Weight 165.195 g/mol
Solvent CDCl3
Source File Reference UWMZ25382