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5-(3-Hydroxypropyl)-3-pentadecafluoroheptylpyrazole
SpectraBase Compound ID 1TWUvszixdo
InChI InChI=1S/C13H9F15N2O/c14-7(15,6-4-5(29-30-6)2-1-3-31)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h4,31H,1-3H2,(H,29,30)
InChIKey IKALNHXRHRBAFF-UHFFFAOYSA-N
Mol Weight 494.2 g/mol
Molecular Formula C13H9F15N2O
Exact Mass 494.047535 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iswv4hqjsGt
Name 5-(3-HYDROXYPROPYL)-3-PENTADECAFLUOROHEPTYLPYRAZOLE
Compound Number 4DD
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H9F15N2O
InChI InChI=1S/C13H9F15N2O/c14-7(15,6-4-5(29-30-6)2-1-3-31)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h4,31H,1-3H2,(H,29,30)
InChIKey IKALNHXRHRBAFF-UHFFFAOYSA-N
Literature Reference Author X.Q.TANG,C.M.HU
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1039(1995)
Literature Reference DOI 10.1039/p19950001039
Solvent ACETONE-D6
Source File Reference UWMZ3975