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3-Pentadecafluoroheptyl-4,5,6,7-tetrahydroindazole

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

3-Pentadecafluoroheptyl-4,5,6,7-tetrahydroindazole
SpectraBase Compound ID DF99gl57qnU
InChI InChI=1S/C14H9F15N2/c15-8(16,7-5-3-1-2-4-6(5)30-31-7)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h1-4H2,(H,30,31)
InChIKey PPYGLKQTZJDMKB-UHFFFAOYSA-N
Mol Weight 490.22 g/mol
Molecular Formula C14H9F15N2
Exact Mass 490.052621 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IZqNxgcOdhE
Name 3-Pentadecafluoroheptyl-4,5,6,7-tetrahydroindazole
Comments Computed using HOSE algorithm
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Exact Mass 490.052620743 u
Formula C14H9F15N2
InChI InChI=1S/C14H9F15N2/c15-8(16,7-5-3-1-2-4-6(5)30-31-7)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h1-4H2,(H,30,31)
InChIKey PPYGLKQTZJDMKB-UHFFFAOYSA-N
Molecular Weight 490.216 g/mol
SMILES C1(=NNC=2CCCCC12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F