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5-Chloro-3-methylbenzo[B]thien-2-yl-[(p-chlorophenyl)thio]methyl ketone

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

5-Chloro-3-methylbenzo[B]thien-2-yl-[(p-chlorophenyl)thio]methyl ketone
SpectraBase Compound ID 8fkDgFScNV3
InChI InChI=1S/C17H12Cl2OS2/c1-10-14-8-12(19)4-7-16(14)22-17(10)15(20)9-21-13-5-2-11(18)3-6-13/h2-8H,9H2,1H3
InChIKey BVNCVSAEPBGLBT-UHFFFAOYSA-N
Mol Weight 367.31 g/mol
Molecular Formula C17H12Cl2OS2
Exact Mass 365.970663 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IwtpN1tzVKH
Name 5-Chloro-3-methylbenzo[B]thien-2-yl-[(p-chlorophenyl)thio]methyl ketone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.970662753 u
Formula C17H12Cl2OS2
InChI InChI=1S/C17H12Cl2OS2/c1-10-14-8-12(19)4-7-16(14)22-17(10)15(20)9-21-13-5-2-11(18)3-6-13/h2-8H,9H2,1H3
InChIKey BVNCVSAEPBGLBT-UHFFFAOYSA-N
Molecular Weight 367.308 g/mol
SMILES C=12C=CC(=CC1C(=C(S2)C(CSC=1C=CC(=CC1)Cl)=O)C)Cl