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2-METHYL-1-[[PARA-(METHYLSULFINYL)-PHENYL]-METHYLENE]-1H-INDENE-3-ACETIC-ACID;DESFLUORO-SULINDAC
SpectraBase Compound ID 3vDOWyhW7qb
InChI InChI=1S/C20H18O3S/c1-13-18(11-14-7-9-15(10-8-14)24(2)23)16-5-3-4-6-17(16)19(13)12-20(21)22/h3-11H,12H2,1-2H3,(H,21,22)/b18-11+
InChIKey XCKQRGVGTNNDKF-WOJGMQOQSA-N
Mol Weight 338.42 g/mol
Molecular Formula C20H18O3S
Exact Mass 338.097666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 193eFlZAngt
Name 2-METHYL-1-[[PARA-(METHYLSULFINYL)-PHENYL]-METHYLENE]-1H-INDENE-3-ACETIC-ACID;DESFLUORO-SULINDAC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18O3S
InChI InChI=1S/C20H18O3S/c1-13-18(11-14-7-9-15(10-8-14)24(2)23)16-5-3-4-6-17(16)19(13)12-20(21)22/h3-11H,12H2,1-2H3,(H,21,22)/b18-11+
InChIKey XCKQRGVGTNNDKF-WOJGMQOQSA-N
Literature Reference Author A.W.DOUGLAS
Literature Reference Citation CAN.J.CHEM.,56,2129(1978)
Literature Reference DOI 10.1139/v78-348
Molecular Weight 338.421 g/mol
Solvent DMSO-D6
Source File Reference UWED3823