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4,5,6,7-Tetrahydro-3-(perfluorohexyl)-1,2-benzisoxazole
SpectraBase Compound ID 162PEDyHymr
InChI InChI=1S/C13H8F13NO/c14-8(15,7-5-3-1-2-4-6(5)28-27-7)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h1-4H2
InChIKey YDGWDJPBADZBCT-UHFFFAOYSA-N
Mol Weight 441.19 g/mol
Molecular Formula C13H8F13NO
Exact Mass 441.03983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2sQ2VOdRJ7x
Name 4,5,6,7-Tetrahydro-3-(perfluorohexyl)-1,2-benzisoxazole
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Formula C13H8F13NO
InChI InChI=1S/C13H8F13NO/c14-8(15,7-5-3-1-2-4-6(5)28-27-7)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h1-4H2
InChIKey YDGWDJPBADZBCT-UHFFFAOYSA-N
Molecular Weight 441.192 g/mol
SMILES C(C(C(c1noc2c1CCCC2)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-00di-2900300000-c15bb381d7e0318a2641
Source of Spectrum H-85-1966-6
Synonyms 4,5,6,7-Tetrahydro-3-(perfluorohexyl)-1,2-benz-isoxazole 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-4,5,6,7-tetrahydro-1,2-benzisoxazole
Wiley ID 1524574