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8-(Ethoxycarbonyl)-8-azabicyclo[3.2.1]oct-2-en-3-yl nonaflate
SpectraBase Compound ID C8HpqkCnDlp
InChI InChI=1S/C14H14F9NO5S/c1-2-28-10(25)24-7-3-4-8(24)6-9(5-7)29-30(26,27)11(12(15,16)17,13(18,19)20)14(21,22)23/h5,7-8H,2-4,6H2,1H3/t7-,8+/m0/s1
InChIKey LYUMIPRNCXDWCI-JGVFFNPUSA-N
Mol Weight 479.31 g/mol
Molecular Formula C14H14F9NO5S
Exact Mass 479.044897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5w8ZMONawE0
Name 8-(Ethoxycarbonyl)-8-azabicyclo[3.2.1]oct-2-en-3-yl nonaflate
Alternate Name(s) rac-8-Ethoxycarbonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl nonaflate
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Formula C14H14F9NO5S
InChI InChI=1S/C14H14F9NO5S/c1-2-28-10(25)24-7-3-4-8(24)6-9(5-7)29-30(26,27)11(12(15,16)17,13(18,19)20)14(21,22)23/h5,7-8H,2-4,6H2,1H3/t7-,8+/m0/s1
InChIKey LYUMIPRNCXDWCI-JGVFFNPUSA-N
Molecular Weight 479.314 g/mol
SMILES C(S(OC1=C[C@@]2(CC[C@@](N2C(=O)OCC)(C1)[H])[H])(=O)=O)(C(F)(F)F)(C(F)(F)F)C(F)(F)F
SPLASH splash10-0ufr-5900300000-e11005ae423eee278c9a
Source of Spectrum K1-2002-1024-3
Wiley ID 1522178