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4,5,6,7-TETRAHYDRO-7-OXOBENZO-[B]-THIOPHENE-5-CARBOXYLIC-ACID
SpectraBase Compound ID IHJYqYPiIfe
InChI InChI=1S/C9H8O3S/c10-7-4-6(9(11)12)3-5-1-2-13-8(5)7/h1-2,6H,3-4H2,(H,11,12)
InChIKey BKUGICAJDKYYRA-UHFFFAOYSA-N
Mol Weight 196.22 g/mol
Molecular Formula C9H8O3S
Exact Mass 196.019415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gbuh3MUInsG
Name 4,5,6,7-TETRAHYDRO-7-OXOBENZO-[B]-THIOPHENE-5-CARBOXYLIC-ACID
Compound Number 8
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C9H8O3S/c10-7-4-6(9(11)12)3-5-1-2-13-8(5)7/h1-2,6H,3-4H2,(H,11,12)
InChIKey BKUGICAJDKYYRA-UHFFFAOYSA-N
Literature Reference P.STANETTY,M.KREMSLEHNER,M.MUELLNER J.HETCYCL.CHEM.,33,1759(1996)
Solvent Dimethyl sulfoxide-d6