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ETHYL-2-(4'-CHLORO-3'-METHYL-BENZOYL)-3-(4''-METHYLTHIOPHENYL)-CYCLOPROPANE-1-CARBOXYLATE
SpectraBase Compound ID 4qQmGc6G6pX
InChI InChI=1S/C21H21ClO3S/c1-4-25-21(24)19-17(13-5-8-15(26-3)9-6-13)18(19)20(23)14-7-10-16(22)12(2)11-14/h5-11,17-19H,4H2,1-3H3/t17-,18?,19?/m1/s1
InChIKey VKPHJZQEFOUMNV-LMDPOFIKSA-N
Mol Weight 388.91 g/mol
Molecular Formula C21H21ClO3S
Exact Mass 388.089993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GCLJ0X6f2Hs
Name ETHYL-2-(4'-CHLORO-3'-METHYL-BENZOYL)-3-(4''-METHYLTHIOPHENYL)-CYCLOPROPANE-1-CARBOXYLATE
Compound Number 8C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21ClO3S
InChI InChI=1S/C21H21ClO3S/c1-4-25-21(24)19-17(13-5-8-15(26-3)9-6-13)18(19)20(23)14-7-10-16(22)12(2)11-14/h5-11,17-19H,4H2,1-3H3/t17-,18?,19?/m1/s1
InChIKey VKPHJZQEFOUMNV-LMDPOFIKSA-N
Literature Reference Author K.M.HUCCHEGOWDA,B.Y.BASAVAIAH,U.BASAVAIAH,S.S.BASAVAIAH
Literature Reference Citation EUR.J.CHEM.,5,584(2014)
Literature Reference DOI 10.5155/eurjchem.5.4.584-587.1093
Molecular Weight 388.909 g/mol
Solvent DMSO-D6
Source File Reference UWIR17769