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2,2-dimethyl-5-[[(5-phenyl-1H-pyrazol-3-yl)amino]methylene]-1,3-dioxane-4,6-quinone
SpectraBase Compound ID H6kaJtt5AtM
InChI InChI=1S/C16H15N3O4/c1-16(2)22-14(20)11(15(21)23-16)9-17-13-8-12(18-19-13)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,17,18,19)
InChIKey BMUUGUJKHVADQD-UHFFFAOYSA-N
Mol Weight 313.31 g/mol
Molecular Formula C16H15N3O4
Exact Mass 313.106256 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CKf1yecxoM7
Name 2,2-dimethyl-5-[[(5-phenyl-1H-pyrazol-3-yl)amino]methylene]-1,3-dioxane-4,6-quinone
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15N3O4
InChI InChI=1S/C16H15N3O4/c1-16(2)22-14(20)11(15(21)23-16)9-17-13-8-12(18-19-13)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,17,18,19)
InChIKey BMUUGUJKHVADQD-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 313.313 g/mol
Solvent DMSO-D6
Source File Reference UWCP8918