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3-[(p-chlorobenzyl)thio]-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonitrile

View entire compound with spectra: 3 NMR, and 1 FTIR

3-[(p-chlorobenzyl)thio]-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonitrile
SpectraBase Compound ID 3kYSIKpqy9n
InChI InChI=1S/C18H16ClNOS2/c1-18(2)7-13-15(9-20)23-17(16(13)14(21)8-18)22-10-11-3-5-12(19)6-4-11/h3-6H,7-8,10H2,1-2H3
InChIKey ARJLTFGWIHELDC-UHFFFAOYSA-N
Mol Weight 361.91 g/mol
Molecular Formula C18H16ClNOS2
Exact Mass 361.036184 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C9BBoZHwxzf
Name 3-[(p-CHLOROBENZYL)THIO]-6,6-DIMETHYL-4-OXO-4,5,6,7-TETRAHYDROBENZO[c]THIOPHENE-1-CARBONITRILE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16ClNOS2
InChI InChI=1S/C18H16ClNOS2/c1-18(2)7-13-15(9-20)23-17(16(13)14(21)8-18)22-10-11-3-5-12(19)6-4-11/h3-6H,7-8,10H2,1-2H3
InChIKey ARJLTFGWIHELDC-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 361.92
Solvent CDCl3; Reference=TMS; Temperature 297K