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THIOBUTACIN
SpectraBase Compound ID 2bKvD2L7rsU
InChI InChI=1S/C11H13NO3S/c1-16-10(11(14)15)6-9(13)7-4-2-3-5-8(7)12/h2-5,10H,6,12H2,1H3,(H,14,15)
InChIKey DGBICJRAEAUCGO-UHFFFAOYSA-N
Mol Weight 239.29 g/mol
Molecular Formula C11H13NO3S
Exact Mass 239.061614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GZGMUZ0ApR5
Name THIOBUTACIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H13NO3S
InChI InChI=1S/C11H13NO3S/c1-16-10(11(14)15)6-9(13)7-4-2-3-5-8(7)12/h2-5,10H,6,12H2,1H3,(H,14,15)
InChIKey DGBICJRAEAUCGO-UHFFFAOYSA-N
Literature Reference Author J.Y.LEE,S.S.MOON,B.S.YUN,I.D.YOO,B.K.HWANG
Literature Reference Citation J.NAT.PROD.,67,2076(2004)
Literature Reference DOI 10.1021/np049786v
Molecular Weight 239.289 g/mol
Solvent CD3OD
Source File Reference UWMZ6867