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FOETITHIOPHENE-A;3,4,5-TRIMETHYL-2-THIOPHENECARBOXYLIC-ACID
SpectraBase Compound ID 9I2ZiVq2hWM
InChI InChI=1S/C8H10O2S/c1-4-5(2)7(8(9)10)11-6(4)3/h1-3H3,(H,9,10)
InChIKey ZHSGKMPXEWBKBM-UHFFFAOYSA-N
Mol Weight 170.23 g/mol
Molecular Formula C8H10O2S
Exact Mass 170.040151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G7vBmSYiYlz
Name FOETITHIOPHENE-A;3,4,5-TRIMETHYL-2-THIOPHENECARBOXYLIC-ACID
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H10O2S
InChI InChI=1S/C8H10O2S/c1-4-5(2)7(8(9)10)11-6(4)3/h1-3H3,(H,9,10)
InChIKey ZHSGKMPXEWBKBM-UHFFFAOYSA-N
Literature Reference Author H.DUAN,Y.TAKAISHI,M.TORI,S.TAKAOKA,G.HONDA,M.ITO,Y.TAKEDA,O. K.KODZHIMATOV,K.KODZ
Literature Reference Citation J.NAT.PROD.,65,1667(2002)
Literature Reference DOI 10.1021/np010541h
Molecular Weight 170.226 g/mol
Solvent CDCl3
Source File Reference UWSI7260