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1,1,1-TRIFLUORO-3-(METHYLANILINO)-5-PHENYLPENTAN-2-ONE
SpectraBase Compound ID BGCCz9u1t9q
InChI InChI=1S/C18H18F3NO/c1-22(15-10-6-3-7-11-15)16(17(23)18(19,20)21)13-12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3/t16-/m1/s1
InChIKey JXIULXRDZIIPIC-MRXNPFEDSA-N
Mol Weight 321.34 g/mol
Molecular Formula C18H18F3NO
Exact Mass 321.134049 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JV0xvvcxYeU
Name 1,1,1-TRIFLUORO-3-(METHYLANILINO)-5-PHENYLPENTAN-2-ONE
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18F3NO
InChI InChI=1S/C18H18F3NO/c1-22(15-10-6-3-7-11-15)16(17(23)18(19,20)21)13-12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3/t16-/m1/s1
InChIKey JXIULXRDZIIPIC-MRXNPFEDSA-N
Literature Reference Author I.RODRIGUES,D.BONNET-DELPON,J.P.BEGUE
Literature Reference Citation J.ORG.CHEM.,66,2098(2001)
Literature Reference DOI 10.1021/jo005751y
Molecular Weight 321.342 g/mol
Solvent CDCl3
Source File Reference UWLU26224