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(7-CHLOROTHIENO-[2,3-F]-[1,3]-BENZODIOXOL-6-YL)-(5-HYDROXY-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)-METHANONE
SpectraBase Compound ID 42r0nQhFbLi
InChI InChI=1S/C20H13ClN2O4S/c1-10-16(20(25)23(22-10)11-5-3-2-4-6-11)18(24)19-17(21)12-7-13-14(27-9-26-13)8-15(12)28-19/h2-8,25H,9H2,1H3
InChIKey VAYPJDRDZBZHDK-UHFFFAOYSA-N
Mol Weight 412.85 g/mol
Molecular Formula C20H13ClN2O4S
Exact Mass 412.028456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EwOjK6iK72w
Name (7-CHLOROTHIENO-[2,3-F]-[1,3]-BENZODIOXOL-6-YL)-(5-HYDROXY-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)-METHANONE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H13ClN2O4S
InChI InChI=1S/C20H13ClN2O4S/c1-10-16(20(25)23(22-10)11-5-3-2-4-6-11)18(24)19-17(21)12-7-13-14(27-9-26-13)8-15(12)28-19/h2-8,25H,9H2,1H3
InChIKey VAYPJDRDZBZHDK-UHFFFAOYSA-N
Literature Reference Author G.A.ELLER,W.HOLZER
Literature Reference Citation MOLECULES,12,60(2007)
Literature Reference DOI 10.3390/12010060
Molecular Weight 412.847 g/mol
Sample ID 46354
Solvent DMSO-D6