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2,2-dimethyl-5-[[[5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]methylene]-1,3-dioxane-4,6-quinone
SpectraBase Compound ID ErpfkfvnSbe
InChI InChI=1S/C17H17N3O4/c1-10-4-6-11(7-5-10)13-8-14(20-19-13)18-9-12-15(21)23-17(2,3)24-16(12)22/h4-9H,1-3H3,(H2,18,19,20)
InChIKey CTOPOILRPAFEPF-UHFFFAOYSA-N
Mol Weight 327.34 g/mol
Molecular Formula C17H17N3O4
Exact Mass 327.121906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1z4QJGsXMPq
Name 2,2-dimethyl-5-[[[5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]methylene]-1,3-dioxane-4,6-quinone
Compound Number 2B
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Formula C17H17N3O4
InChI InChI=1S/C17H17N3O4/c1-10-4-6-11(7-5-10)13-8-14(20-19-13)18-9-12-15(21)23-17(2,3)24-16(12)22/h4-9H,1-3H3,(H2,18,19,20)
InChIKey CTOPOILRPAFEPF-UHFFFAOYSA-N
Literature Reference Author J.QUIROGA,A.HORMAZA,B.INSUASTY,C.SAITZ,C.JULLIAN,A.CANETE
Literature Reference Citation J.HETCYCL.CHEM.,35,61(1998)
Literature Reference DOI 10.1002/jhet.5570350112
Molecular Weight 327.340 g/mol
Solvent DMSO-D6
Source File Reference UWCP8919