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2,6-DI-(4-CHLOROPHENYL)-4-CYANO-4-ETHOXYCARBONYL-4H-THIOPYRAN
SpectraBase Compound ID 9uC0jau9gj2
InChI InChI=1S/C21H15Cl2NO2S/c1-2-26-20(25)21(13-24)11-18(14-3-7-16(22)8-4-14)27-19(12-21)15-5-9-17(23)10-6-15/h3-12H,2H2,1H3
InChIKey LGCPRUXMGWJJDC-UHFFFAOYSA-N
Mol Weight 416.32 g/mol
Molecular Formula C21H15Cl2NO2S
Exact Mass 415.020055 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ap9Ui0N5SGS
Name 2,6-DI-(4-CHLOROPHENYL)-4-CYANO-4-ETHOXYCARBONYL-4H-THIOPYRAN
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H15Cl2NO2S
InChI InChI=1S/C21H15Cl2NO2S/c1-2-26-20(25)21(13-24)11-18(14-3-7-16(22)8-4-14)27-19(12-21)15-5-9-17(23)10-6-15/h3-12H,2H2,1H3
InChIKey LGCPRUXMGWJJDC-UHFFFAOYSA-N
Literature Reference Author V.PADMAVATHI,A.BALAIAH,D.B.REDDY
Literature Reference Citation J.HETCYCL.CHEM.,39,649(2002)
Literature Reference DOI 10.1002/jhet.5570390408
Molecular Weight 416.322 g/mol
Solvent CDCl3
Source File Reference UWSI8690