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3-(p-Methoxyphenyl)-5-perfluoroheptyl-1,2,4-oxadiazole
SpectraBase Compound ID CNMJ3A0KYtU
InChI InChI=1S/C16H7F15N2O2/c1-34-7-4-2-6(3-5-7)8-32-9(35-33-8)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h2-5H,1H3
InChIKey BSWZUBNMUZKMIY-UHFFFAOYSA-N
Mol Weight 544.22 g/mol
Molecular Formula C16H7F15N2O2
Exact Mass 544.0268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHO51FpzJC4
Name 3-(p-Methoxyphenyl)-5-perfluoroheptyl-1,2,4-oxadiazole
Alternate Name(s) 3-(4-Methoxyphenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,2,4-oxadiazole Methyl 4-[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,2,4-oxadiazol-3-yl]phenyl ether
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Formula C16H7F15N2O2
InChI InChI=1S/C16H7F15N2O2/c1-34-7-4-2-6(3-5-7)8-32-9(35-33-8)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h2-5H,1H3
InChIKey BSWZUBNMUZKMIY-UHFFFAOYSA-N
Molecular Weight 544.220 g/mol
SMILES C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(c1nc(-c2ccc(cc2)OC)no1)(F)F)(F)F)(F)F
SPLASH splash10-0006-0300090000-45024af97ac486a0a483
Source of Spectrum K1-2004-978-3
Wiley ID 1560412