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(1S)-1-[TRIFLUORO-(1E)-PROPENYL]-HEPTYL-BENZOATE
SpectraBase Compound ID 4A1RB2lYU7s
InChI InChI=1S/C17H21F3O2/c1-2-3-4-8-11-15(12-13-17(18,19)20)22-16(21)14-9-6-5-7-10-14/h5-7,9-10,12-13,15H,2-4,8,11H2,1H3/b13-12+/t15-/m1/s1
InChIKey QZIYDRTWZQCJSO-RDRICISKSA-N
Mol Weight 314.35 g/mol
Molecular Formula C17H21F3O2
Exact Mass 314.149364 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2y1ZsfYNdWI
Name (1S)-1-[TRIFLUORO-(1E)-PROPENYL]-HEPTYL-BENZOATE
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21F3O2
InChI InChI=1S/C17H21F3O2/c1-2-3-4-8-11-15(12-13-17(18,19)20)22-16(21)14-9-6-5-7-10-14/h5-7,9-10,12-13,15H,2-4,8,11H2,1H3/b13-12+/t15-/m1/s1
InChIKey QZIYDRTWZQCJSO-RDRICISKSA-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
Solvent CDCl3
Source File Reference UWLU24991