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3-ETHYLCARBOXY-4-(4'-METHYLTHIOPHENYL)-6-CHLORO-7-METHYL-1-TETRALONE
SpectraBase Compound ID LghgORaLlKj
InChI InChI=1S/C21H21ClO3S/c1-4-25-21(24)17-11-19(23)15-9-12(2)18(22)10-16(15)20(17)13-5-7-14(26-3)8-6-13/h5-10,17,20H,4,11H2,1-3H3/t17-,20-/m1/s1
InChIKey GPAUPIAXCIRSGC-YLJYHZDGSA-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 16ZecoqdlXM
Name 3-ETHYLCARBOXY-4-(4'-METHYLTHIOPHENYL)-6-CHLORO-7-METHYL-1-TETRALONE
Compound Number 9C
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)17-11-19(23)15-9-12(2)18(22)10-16(15)20(17)13-5-7-14(26-3)8-6-13/h5-10,17,20H,4,11H2,1-3H3/t17-,20-/m1/s1
InChIKey GPAUPIAXCIRSGC-YLJYHZDGSA-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 UWIR17773