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3,3-DIMETHYL-2,7-DIOXO-5-PHENYL-3,7-DIHYDRO-2H-PYRAZOLO-[5,1-B]-[1,3]-OXAZIN-8-IUM-1-IDE
SpectraBase Compound ID GfUNT1scF2B
InChI InChI=1S/C14H12N2O3/c1-14(2)12(18)15-16-11(17)8-10(19-13(14)16)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey FAGXKXIYABYAJX-UHFFFAOYSA-N
Mol Weight 256.26 g/mol
Molecular Formula C14H12N2O3
Exact Mass 256.084792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G57rBWBWXvB
Name 3,3-DIMETHYL-2,7-DIOXO-5-PHENYL-3,7-DIHYDRO-2H-PYRAZOLO-[5,1-B]-[1,3]-OXAZIN-8-IUM-1-IDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H12N2O3
InChI InChI=1S/C14H12N2O3/c1-14(2)12(18)15-16-11(17)8-10(19-13(14)16)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey FAGXKXIYABYAJX-UHFFFAOYSA-N
Literature Reference Author O.A.PETINA,I.P.YAKOVLEV,D.GEFFKEN
Literature Reference Citation EUR.J.ORG.CHEM.,2012,3219(2012)
Literature Reference DOI 10.1002/ejoc.201200267
Molecular Weight 256.261 g/mol
Solvent DMSO-D6
Source File Reference UWLU84911