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(3-phenyl-5-(trichloromethyl)-1H-pyrazol-1-yl)(thiophen-2-yl)methanone

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(3-phenyl-5-(trichloromethyl)-1H-pyrazol-1-yl)(thiophen-2-yl)methanone
SpectraBase Compound ID JTfH44GpUW5
InChI InChI=1S/C15H9Cl3N2OS/c16-15(17,18)13-9-11(10-5-2-1-3-6-10)19-20(13)14(21)12-7-4-8-22-12/h1-9H
InChIKey FUUXHSIXDKTFNI-UHFFFAOYSA-N
Mol Weight 371.67 g/mol
Molecular Formula C15H9Cl3N2OS
Exact Mass 369.950117 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GqynsF2oTSA
Name (3-Phenyl-5-(trichloromethyl)-1H-pyrazol-1-yl)(thiophen-2-yl)methanone
Comments Computed using HOSE algorithm
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Exact Mass 369.950117191 u
Formula C15H9Cl3N2OS
InChI InChI=1S/C15H9Cl3N2OS/c16-15(17,18)13-9-11(10-5-2-1-3-6-10)19-20(13)14(21)12-7-4-8-22-12/h1-9H
InChIKey FUUXHSIXDKTFNI-UHFFFAOYSA-N
Molecular Weight 371.669 g/mol
SMILES C(N1N=C(C2=CC=CC=C2)C=C1C(Cl)(Cl)Cl)(=O)C1=CC=CS1