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3-[(Butylthio)methyl]-5-chloro-2[(p-chlorophenoxy)methyl]benzo[B]thiophene

View entire compound with spectra: 2 NMR, and 1 FTIR

3-[(Butylthio)methyl]-5-chloro-2[(p-chlorophenoxy)methyl]benzo[B]thiophene
SpectraBase Compound ID Fjae8MV4fot
InChI InChI=1S/C20H20Cl2OS2/c1-2-3-10-24-13-18-17-11-15(22)6-9-19(17)25-20(18)12-23-16-7-4-14(21)5-8-16/h4-9,11H,2-3,10,12-13H2,1H3
InChIKey XFXLKYVVAQGFOI-UHFFFAOYSA-N
Mol Weight 411.41 g/mol
Molecular Formula C20H20Cl2OS2
Exact Mass 410.033263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BSdbklVpoO0
Name 3-[(Butylthio)methyl]-5-chloro-2[(p-chlorophenoxy)methyl]benzo[B]thiophene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.033263011 u
Formula C20H20Cl2OS2
InChI InChI=1S/C20H20Cl2OS2/c1-2-3-10-24-13-18-17-11-15(22)6-9-19(17)25-20(18)12-23-16-7-4-14(21)5-8-16/h4-9,11H,2-3,10,12-13H2,1H3
InChIKey XFXLKYVVAQGFOI-UHFFFAOYSA-N
Molecular Weight 411.405 g/mol
SMILES C=12C=C(C=CC1SC(=C2CSCCCC)COC=1C=CC(=CC1)Cl)Cl