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1-(4-CHLOROPHENYL)-2,2,4-TRIMETHYL-1,3-PENTADIONE
SpectraBase Compound ID AxJgOJPD4SG
InChI InChI=1S/C14H17ClO2/c1-9(2)12(16)14(3,4)13(17)10-5-7-11(15)8-6-10/h5-9H,1-4H3
InChIKey GJKKUYBLTATHDK-UHFFFAOYSA-N
Mol Weight 252.74 g/mol
Molecular Formula C14H17ClO2
Exact Mass 252.091707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6h1MhmwNr4x
Name 1-(4-CHLOROPHENYL)-2,2,4-TRIMETHYL-1,3-PENTADIONE
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H17ClO2
InChI InChI=1S/C14H17ClO2/c1-9(2)12(16)14(3,4)13(17)10-5-7-11(15)8-6-10/h5-9H,1-4H3
InChIKey GJKKUYBLTATHDK-UHFFFAOYSA-N
Literature Reference Author S.T.LIN,W.C.LIN,Y.H.YEH
Literature Reference Citation J.CHIN.CHEM.SOC.,47,275(2000)
Literature Reference DOI 10.1002/jccs.200000034
Molecular Weight 252.741 g/mol
Solvent CDCl3
Source File Reference UWMS3234