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5-Methoxy eipt, N-heptafluorobutyryl-

View entire compound with spectra: 1 NMR

5-Methoxy eipt, N-heptafluorobutyryl-
SpectraBase Compound ID K6ycaC42SKf
InChI InChI=1S/C20H23F7N2O2/c1-5-28(12(2)3)9-8-13-11-29(16-7-6-14(31-4)10-15(13)16)17(30)18(21,22)19(23,24)20(25,26)27/h6-7,10-12H,5,8-9H2,1-4H3
InChIKey UMOPFLKOIXJPGS-UHFFFAOYSA-N
Mol Weight 456.4 g/mol
Molecular Formula C20H23F7N2O2
Exact Mass 456.164775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hx7jVQgO1Xb
Name 5-Methoxy eipt, N-heptafluorobutyryl-
Comments Computed using HOSE algorithm
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Exact Mass 456.164775128 u
Formula C20H23F7N2O2
InChI InChI=1S/C20H23F7N2O2/c1-5-28(12(2)3)9-8-13-11-29(16-7-6-14(31-4)10-15(13)16)17(30)18(21,22)19(23,24)20(25,26)27/h6-7,10-12H,5,8-9H2,1-4H3
InChIKey UMOPFLKOIXJPGS-UHFFFAOYSA-N
Molecular Weight 456.405 g/mol
SMILES C(CN(C(C)C)CC)C=1C2=C(C=CC(=C2)OC)N(C1)C(=O)C(C(C(F)(F)F)(F)F)(F)F