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3-[(p-chlorobenzyl)thio]-6,8-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylic acid, ethyl ester

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

3-[(p-chlorobenzyl)thio]-6,8-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylic acid, ethyl ester
SpectraBase Compound ID VY7ZRyvwv6
InChI InChI=1S/C20H21ClO3S2/c1-4-24-18(23)17-14-9-20(2,3)10-15(22)16(14)19(26-17)25-11-12-5-7-13(21)8-6-12/h5-8H,4,9-11H2,1-3H3
InChIKey ZWRBUTHHZCEULL-UHFFFAOYSA-N
Mol Weight 408.96 g/mol
Molecular Formula C20H21ClO3S2
Exact Mass 408.062065 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JN1kg6CzT2c
Name 3-[(p-CHLOROBENZYL)THIO]-6,6-DIMETHYL-4-OXO-4,5,6,7-TETRAHYDROBENZO[c]THIOPHENE-1-CARBOXYLIC ACID, ETHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21ClO3S2
InChI InChI=1S/C20H21ClO3S2/c1-4-24-18(23)17-14-9-20(2,3)10-15(22)16(14)19(26-17)25-11-12-5-7-13(21)8-6-12/h5-8H,4,9-11H2,1-3H3
InChIKey ZWRBUTHHZCEULL-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 408.97
Solvent CDCl3; Reference=TMS; Temperature 297K