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(3-CHLOROTHIENO-[2,3-B]-THIEN-2-YL)-(5-HYDROXY-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)-METHANONE
SpectraBase Compound ID 7DT7T9Zr1OQ
InChI InChI=1S/C17H11ClN2O2S2/c1-9-12(16(22)20(19-9)10-5-3-2-4-6-10)14(21)15-13(18)11-7-8-23-17(11)24-15/h2-8,22H,1H3
InChIKey XVDPSTPGPQSIBA-UHFFFAOYSA-N
Mol Weight 374.86 g/mol
Molecular Formula C17H11ClN2O2S2
Exact Mass 373.995048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dbu5tSHQd3h
Name (3-CHLOROTHIENO-[2,3-B]-THIEN-2-YL)-(5-HYDROXY-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)-METHANONE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H11ClN2O2S2
InChI InChI=1S/C17H11ClN2O2S2/c1-9-12(16(22)20(19-9)10-5-3-2-4-6-10)14(21)15-13(18)11-7-8-23-17(11)24-15/h2-8,22H,1H3
InChIKey XVDPSTPGPQSIBA-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 374.860 g/mol
Sample ID 46353
Solvent DMSO-D6