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3-ETHYLCARBOXY-4-(3',4'-DIMETHYLPHENYL)-6-CHLORO-7-METHYL-1-TETRALONE
SpectraBase Compound ID KCLmBrjPSvH
InChI InChI=1S/C22H23ClO3/c1-5-26-22(25)18-11-20(24)16-9-14(4)19(23)10-17(16)21(18)15-7-6-12(2)13(3)8-15/h6-10,18,21H,5,11H2,1-4H3/t18-,21-/m1/s1
InChIKey CJYOHXAZRDXCGB-WIYYLYMNSA-N
Mol Weight 370.88 g/mol
Molecular Formula C22H23ClO3
Exact Mass 370.133572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Cekvrj8UWM
Name 3-ETHYLCARBOXY-4-(3',4'-DIMETHYLPHENYL)-6-CHLORO-7-METHYL-1-TETRALONE
Compound Number 9D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H23ClO3
InChI InChI=1S/C22H23ClO3/c1-5-26-22(25)18-11-20(24)16-9-14(4)19(23)10-17(16)21(18)15-7-6-12(2)13(3)8-15/h6-10,18,21H,5,11H2,1-4H3/t18-,21-/m1/s1
InChIKey CJYOHXAZRDXCGB-WIYYLYMNSA-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 370.876 g/mol
Solvent DMSO-D6
Source File Reference UWIR17774