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5-FLUORO-2-METHYL-1-[[PARA-(METHYLSULFINYL)-PHENYL]-METHYLENE]-1H-INDENE-3-ACETIC-ACID,SODIUM-SALT;SODIUM-SULINDAC
SpectraBase Compound ID Bhbq4zdqvOV
InChI InChI=1S/C20H17FO3S.Na/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23;/h3-10H,11H2,1-2H3,(H,22,23);/q;+1/p-1/b17-9+;
InChIKey YMXUJDLCLXHYBO-WWIHJBQESA-M
Mol Weight 378.39 g/mol
Molecular Formula C20H16FNaO3S
Exact Mass 378.070188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BbP7NhzjcDI
Name 5-FLUORO-2-METHYL-1-[[PARA-(METHYLSULFINYL)-PHENYL]-METHYLENE]-1H-INDENE-3-ACETIC-ACID,SODIUM-SALT;SODIUM-SULINDAC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H16FNaO3S
InChI InChI=1S/C20H17FO3S.Na/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23;/h3-10H,11H2,1-2H3,(H,22,23);/q;+1/p-1/b17-9+;
InChIKey YMXUJDLCLXHYBO-WWIHJBQESA-M
Literature Reference Author A.W.DOUGLAS
Literature Reference Citation CAN.J.CHEM.,56,2129(1978)
Literature Reference DOI 10.1139/v78-348
Molecular Weight 378.393 g/mol
Solvent DMSO-D6
Source File Reference UWED3825