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2-(3-phenylpropyl)malonic acid bis(2,2,2-trifluoroethyl) ester
SpectraBase Compound ID 74YmVq0BqH
InChI InChI=1S/C16H16F6O4/c17-15(18,19)9-25-13(23)12(14(24)26-10-16(20,21)22)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKey SQMLNQFZAPYHBS-UHFFFAOYSA-N
Mol Weight 386.29 g/mol
Molecular Formula C16H16F6O4
Exact Mass 386.095278 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ARWEckwwd34
Name 2-(3-phenylpropyl)malonic acid bis(2,2,2-trifluoroethyl) ester
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16F6O4
InChI InChI=1S/C16H16F6O4/c17-15(18,19)9-25-13(23)12(14(24)26-10-16(20,21)22)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKey SQMLNQFZAPYHBS-UHFFFAOYSA-N
Literature Reference Author J.M.TAKACS,Z.XU,X.T.JIANG,A.P.LEONOV,G.C.THERIOT
Literature Reference Citation ORG.LETTERS,4,3843(2002)
Literature Reference DOI 10.1021/ol0266626
Molecular Weight 386.291 g/mol
Sample ID 33025
Solvent CDCl3