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3-chloro-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}-1-benzothiophene-2-carbohydrazide
SpectraBase Compound ID HVya4vRuwqM
InChI InChI=1S/C17H10ClF3N2OS/c18-14-11-6-2-4-8-13(11)25-15(14)16(24)23-22-9-10-5-1-3-7-12(10)17(19,20)21/h1-9H,(H,23,24)/b22-9+
InChIKey KROHICIHCRHVQK-LSFURLLWSA-N
Mol Weight 382.79 g/mol
Molecular Formula C17H10ClF3N2OS
Exact Mass 382.015446 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Etl3BTVDzbu
Name 3-Chloro-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}-1-benzothiophene-2-carbohydrazide
Comments Computed using HOSE algorithm
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Exact Mass 382.015446312 u
Formula C17H10ClF3N2OS
InChI InChI=1S/C17H10ClF3N2OS/c18-14-11-6-2-4-8-13(11)25-15(14)16(24)23-22-9-10-5-1-3-7-12(10)17(19,20)21/h1-9H,(H,23,24)/b22-9+
InChIKey KROHICIHCRHVQK-LSFURLLWSA-N
Molecular Weight 382.788 g/mol
SMILES N(\N=C\C1=C(C(F)(F)F)C=CC=C1)C(C=1SC=2C=CC=CC2C1Cl)=O