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3-METHYL-4-[2-(3-PYRIDYLMETHYLEN)-AMINO-4,5-METHYLENDIOXYPHENYL]-FUROXAN
SpectraBase Compound ID CpX6LnKt0UR
InChI InChI=1S/C16H12N4O4/c1-10-16(19-24-20(10)21)12-5-14-15(23-9-22-14)6-13(12)18-8-11-3-2-4-17-7-11/h2-8H,9H2,1H3/b18-8+
InChIKey XTYBPOKGPPSIHP-QGMBQPNBSA-N
Mol Weight 324.3 g/mol
Molecular Formula C16H12N4O4
Exact Mass 324.085855 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3JQMniVdMRd
Name 3-METHYL-4-[2-(3-PYRIDYLMETHYLEN)-AMINO-4,5-METHYLENDIOXYPHENYL]-FUROXAN
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12N4O4
InChI InChI=1S/C16H12N4O4/c1-10-16(19-24-20(10)21)12-5-14-15(23-9-22-14)6-13(12)18-8-11-3-2-4-17-7-11/h2-8H,9H2,1H3/b18-8+
InChIKey XTYBPOKGPPSIHP-QGMBQPNBSA-N
Literature Reference Author N.H.DINH,N.T.LY,L.T.T.VAN
Literature Reference Citation J.HETCYCL.CHEM.,41,1015(2004)
Literature Reference DOI 10.1002/jhet.5570410628
Molecular Weight 324.296 g/mol
Solvent DMSO-D6
Source File Reference UWLU22619