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5,5-Dimethyl-1-phenyl-hexane-1,4-dione

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5,5-Dimethyl-1-phenyl-hexane-1,4-dione
SpectraBase Compound ID HyqcWL1vHDi
InChI InChI=1S/C14H18O2/c1-14(2,3)13(16)10-9-12(15)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey IZBIILHAJJUBNU-UHFFFAOYSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LP3lSr5TXu6
Name 5,5-DIMETHYL-1-PHENYLHEXANE-1,4-DIONE
Compound Number 3CA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-14(2,3)13(16)10-9-12(15)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey IZBIILHAJJUBNU-UHFFFAOYSA-N
Literature Reference Author M.YASUDA,S.TSUJI,Y.SHIGEYOSHI,A.BABA
Literature Reference Citation J.AM.CHEM.SOC.,124,7440(2002)
Literature Reference DOI 10.1021/ja0258172
Molecular Weight 218.296 g/mol
Sample ID 34198
Solvent CDCl3