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N-(2',2'-Diethoxy-1'-ethyl)-4-[(pentafluorophenyl)oxycarbonyl]-2-phenyl-1-butyramide
SpectraBase Compound ID LirDb2EkJ0r
InChI InChI=1S/C23H24F5NO5/c1-3-32-16(33-4-2)12-29-23(31)14(13-8-6-5-7-9-13)10-11-15(30)34-22-20(27)18(25)17(24)19(26)21(22)28/h5-9,14,16H,3-4,10-12H2,1-2H3,(H,29,31)
InChIKey KDHKTUCDYYEPKY-UHFFFAOYSA-N
Mol Weight 489.44 g/mol
Molecular Formula C23H24F5NO5
Exact Mass 489.157464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 95vEC4KGeau
Name N-(2',2'-Diethoxy-1'-ethyl)-4-[(pentafluorophenyl)oxycarbonyl]-2-phenyl-1-butyramide
Comments Computed using HOSE algorithm
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Exact Mass 489.157463687 u
Formula C23H24F5NO5
InChI InChI=1S/C23H24F5NO5/c1-3-32-16(33-4-2)12-29-23(31)14(13-8-6-5-7-9-13)10-11-15(30)34-22-20(27)18(25)17(24)19(26)21(22)28/h5-9,14,16H,3-4,10-12H2,1-2H3,(H,29,31)
InChIKey KDHKTUCDYYEPKY-UHFFFAOYSA-N
Molecular Weight 489.439 g/mol
SMILES C1(=C(C(F)=C(C(=C1F)F)F)F)OC(=O)CCC(C(NCC(OCC)OCC)=O)C1=CC=CC=C1