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5-[[[5-(4-bromophenyl)-1H-pyrazol-3-yl]amino]methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone
SpectraBase Compound ID 8rcuOjWZwzi
InChI InChI=1S/C16H14BrN3O4/c1-16(2)23-14(21)11(15(22)24-16)8-18-13-7-12(19-20-13)9-3-5-10(17)6-4-9/h3-8H,1-2H3,(H2,18,19,20)
InChIKey YXZLEPSLWMCVPN-UHFFFAOYSA-N
Mol Weight 392.21 g/mol
Molecular Formula C16H14BrN3O4
Exact Mass 391.016769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ravvAFi4Yb
Name 5-[[[5-(4-bromophenyl)-1H-pyrazol-3-yl]amino]methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H14BrN3O4
InChI InChI=1S/C16H14BrN3O4/c1-16(2)23-14(21)11(15(22)24-16)8-18-13-7-12(19-20-13)9-3-5-10(17)6-4-9/h3-8H,1-2H3,(H2,18,19,20)
InChIKey YXZLEPSLWMCVPN-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 392.209 g/mol
Solvent DMSO-D6
Source File Reference UWCP8922