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4-hydroxy-3-(methylsulfonyl)-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylic acid, ethyl ester
SpectraBase Compound ID GBwtgkpH09A
InChI InChI=1S/C12H16O5S2/c1-3-17-11(14)10-7-5-4-6-8(13)9(7)12(18-10)19(2,15)16/h8,13H,3-6H2,1-2H3
InChIKey MXYDQYSGXYICQK-UHFFFAOYSA-N
Mol Weight 304.38 g/mol
Molecular Formula C12H16O5S2
Exact Mass 304.043916 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ULlGiPS46F
Name 4-HYDROXY-3-(METHYLSULFONYL)-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 C12H16O5S2
InChI InChI=1S/C12H16O5S2/c1-3-17-11(14)10-7-5-4-6-8(13)9(7)12(18-10)19(2,15)16/h8,13H,3-6H2,1-2H3
InChIKey MXYDQYSGXYICQK-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 304.39
Solvent CDCl3; Reference=TMS; Temperature 297K