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3-(7-CHLOROTETRADECAFLUOROHEPTYL)-5-(3-HYDROXYPROPYL)-PYRAZOLE
SpectraBase Compound ID KVDKoHkevtv
InChI InChI=1S/C13H9ClF14N2O/c14-13(27,28)12(25,26)11(23,24)10(21,22)9(19,20)8(17,18)7(15,16)6-4-5(29-30-6)2-1-3-31/h4,31H,1-3H2,(H,29,30)
InChIKey LKBZGRHAKOEGPA-UHFFFAOYSA-N
Mol Weight 510.66 g/mol
Molecular Formula C13H9ClF14N2O
Exact Mass 510.017985 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FsLjeOpK5UP
Name 3-(7-CHLOROTETRADECAFLUOROHEPTYL)-5-(3-HYDROXYPROPYL)-PYRAZOLE
Compound Number 4DG
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Formula C13H9ClF14N2O
InChI InChI=1S/C13H9ClF14N2O/c14-13(27,28)12(25,26)11(23,24)10(21,22)9(19,20)8(17,18)7(15,16)6-4-5(29-30-6)2-1-3-31/h4,31H,1-3H2,(H,29,30)
InChIKey LKBZGRHAKOEGPA-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 UWMZ3978