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3,5-DIMETHYL-1,7-DIPHENYL-1H-PYRANO-[2,3-C:6,5-C]-DIPYRAZOL-4(7H)-THIONE
SpectraBase Compound ID fjsC3npYYB
InChI InChI=1S/C21H16N4OS/c1-13-17-19(27)18-14(2)23-25(16-11-7-4-8-12-16)21(18)26-20(17)24(22-13)15-9-5-3-6-10-15/h3-12H,1-2H3
InChIKey MBBKONVGYSPMBC-UHFFFAOYSA-N
Mol Weight 372.45 g/mol
Molecular Formula C21H16N4OS
Exact Mass 372.104482 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BmBcHEWD4rj
Name 3,5-DIMETHYL-1,7-DIPHENYL-1H-PYRANO-[2,3-C:6,5-C]-DIPYRAZOL-4(7H)-THIONE
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H16N4OS
InChI InChI=1S/C21H16N4OS/c1-13-17-19(27)18-14(2)23-25(16-11-7-4-8-12-16)21(18)26-20(17)24(22-13)15-9-5-3-6-10-15/h3-12H,1-2H3
InChIKey MBBKONVGYSPMBC-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 372.444 g/mol
Sample ID 72423
Solvent CDCl3