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1-[3,3-DIFLUORO-(1E)-PROPENYL]-HEPTYL-BENZOATE
SpectraBase Compound ID IVKVNEBicWP
InChI InChI=1S/C17H22F2O2/c1-2-3-4-8-11-15(12-13-16(18)19)21-17(20)14-9-6-5-7-10-14/h5-7,9-10,12-13,15-16H,2-4,8,11H2,1H3/b13-12+
InChIKey BOLPXRWABGJLOP-OUKQBFOZSA-N
Mol Weight 296.36 g/mol
Molecular Formula C17H22F2O2
Exact Mass 296.158786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 74MBi5bR2qy
Name 1-[3,3-DIFLUORO-(1E)-PROPENYL]-HEPTYL-BENZOATE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22F2O2
InChI InChI=1S/C17H22F2O2/c1-2-3-4-8-11-15(12-13-16(18)19)21-17(20)14-9-6-5-7-10-14/h5-7,9-10,12-13,15-16H,2-4,8,11H2,1H3/b13-12+
InChIKey BOLPXRWABGJLOP-OUKQBFOZSA-N
Literature Reference Author T.KONNO,K.NAGATA,T.ISHIHARA,H.YAMANAKA
Literature Reference Citation J.ORG.CHEM.,67,1768(2002)
Literature Reference DOI 10.1021/jo011013d
Molecular Weight 296.357 g/mol
Solvent CDCl3
Source File Reference UWLU24990