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3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUORO-OCTANOIC_ACID-METHYLESTER

View entire compound with spectra: 2 NMR, and 1 MS (GC)

3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUORO-OCTANOIC_ACID-METHYLESTER
SpectraBase Compound ID DWebWs3vRi2
InChI InChI=1S/C9H5F13O2/c1-24-3(23)2-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2H2,1H3
InChIKey GMIBYTAVMJANDO-UHFFFAOYSA-N
Mol Weight 392.12 g/mol
Molecular Formula C9H5F13O2
Exact Mass 392.008196 g/mol

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FZuNn9knQ76
Name 3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUORO-OCTANOIC_ACID-METHYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H5F13O2
InChI InChI=1S/C9H5F13O2/c1-24-3(23)2-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2H2,1H3
InChIKey GMIBYTAVMJANDO-UHFFFAOYSA-N
Literature Reference Author B.WRACKMEYER,K.VON-WERNER,F.WEHOWSKY
Literature Reference Citation J.FLUOR.CHEM.,35,359(1987)
Literature Reference DOI 10.1016/s0022-1139(00)85018-6
Solvent CDCl3
Source File Reference UHPK2210