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1-(4-METHOXYBENZYL)-7-PHENYL-1H-PYRANO-[2,3-C:6,5-C]-DIPYRAZOL-4(7H)-THIONE
SpectraBase Compound ID At0Hanc5AU0
InChI InChI=1S/C21H16N4O2S/c1-26-16-9-7-14(8-10-16)13-24-20-17(11-22-24)19(28)18-12-23-25(21(18)27-20)15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKey NUFAAZHLGJKOCS-UHFFFAOYSA-N
Mol Weight 388.45 g/mol
Molecular Formula C21H16N4O2S
Exact Mass 388.099397 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ZZMPQRplOE
Name 1-(4-METHOXYBENZYL)-7-PHENYL-1H-PYRANO-[2,3-C:6,5-C]-DIPYRAZOL-4(7H)-THIONE
Compound Number 5F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H16N4O2S
InChI InChI=1S/C21H16N4O2S/c1-26-16-9-7-14(8-10-16)13-24-20-17(11-22-24)19(28)18-12-23-25(21(18)27-20)15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKey NUFAAZHLGJKOCS-UHFFFAOYSA-N
Literature Reference Author B.DATTERL,N.TROESTNER,D.KUCKARSKI,W.HOLZER
Literature Reference Citation MOLECULES,15,6106(2010)
Literature Reference DOI 10.3390/molecules15096106
Molecular Weight 388.444 g/mol
Sample ID 72425
Solvent CDCl3