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3-Methoxy-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1-propyl-1,2,4-triazole
SpectraBase Compound ID BZ0SWEghC9y
InChI InChI=1S/C13H10F15N3O/c1-3-4-31-5(29-6(30-31)32-2)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h3-4H2,1-2H3
InChIKey CYOSXBMPARMLIW-UHFFFAOYSA-N
Mol Weight 509.22 g/mol
Molecular Formula C13H10F15N3O
Exact Mass 509.058434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KP6E7sVQbNf
Name 3-Methoxy-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1-propyl-1,2,4-triazole
Alternate Name(s) 3-Methoxy-5-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecakis(fluoranyl)heptyl]-1-propyl-1,2,4-triazole
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Formula C13H10F15N3O
InChI InChI=1S/C13H10F15N3O/c1-3-4-31-5(29-6(30-31)32-2)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h3-4H2,1-2H3
InChIKey CYOSXBMPARMLIW-UHFFFAOYSA-N
Molecular Weight 509.219 g/mol
SMILES c1(n[n](c(n1)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC)OC
SPLASH splash10-03dl-2500290000-c3e585da67f7c0b3ebdc
Source of Spectrum F-69-4114-27
Wiley ID 1595211