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3-(isopropylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylic acid, ethyl ester

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

3-(isopropylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylic acid, ethyl ester
SpectraBase Compound ID DeE2nL8amUc
InChI InChI=1S/C14H18O3S2/c1-4-17-13(16)12-9-6-5-7-10(15)11(9)14(19-12)18-8(2)3/h8H,4-7H2,1-3H3
InChIKey CMDNLAPAEVHOQL-UHFFFAOYSA-N
Mol Weight 298.42 g/mol
Molecular Formula C14H18O3S2
Exact Mass 298.069737 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8YLpw1xceDc
Name 3-(ISOPROPYLTHIO)-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 C14H18O3S2
InChI InChI=1S/C14H18O3S2/c1-4-17-13(16)12-9-6-5-7-10(15)11(9)14(19-12)18-8(2)3/h8H,4-7H2,1-3H3
InChIKey CMDNLAPAEVHOQL-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 298.43
Solvent CDCl3; Reference=TMS; Temperature 297K