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5-[[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]amino]methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone
SpectraBase Compound ID Lwr3ou6zcpP
InChI InChI=1S/C17H17N3O5/c1-17(2)24-15(21)12(16(22)25-17)9-18-14-8-13(19-20-14)10-4-6-11(23-3)7-5-10/h4-9H,1-3H3,(H2,18,19,20)
InChIKey RFGWKSOFCVRQIG-UHFFFAOYSA-N
Mol Weight 343.34 g/mol
Molecular Formula C17H17N3O5
Exact Mass 343.116821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1RnK0knPhUw
Name 5-[[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]amino]methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17N3O5
InChI InChI=1S/C17H17N3O5/c1-17(2)24-15(21)12(16(22)25-17)9-18-14-8-13(19-20-14)10-4-6-11(23-3)7-5-10/h4-9H,1-3H3,(H2,18,19,20)
InChIKey RFGWKSOFCVRQIG-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 343.339 g/mol
Solvent DMSO-D6
Source File Reference UWCP8920