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4-(4-Pentafluorophenyloxycarbonyl-butyryl)-piperazine-1-carboxylic acid tert-butyl ester
SpectraBase Compound ID 8bvVF8asQer
InChI InChI=1S/C20H23F5N2O5/c1-20(2,3)32-19(30)27-9-7-26(8-10-27)11(28)5-4-6-12(29)31-18-16(24)14(22)13(21)15(23)17(18)25/h4-10H2,1-3H3
InChIKey TZKNHMMYKDNLOQ-UHFFFAOYSA-N
Mol Weight 466.41 g/mol
Molecular Formula C20H23F5N2O5
Exact Mass 466.152713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K3fRKXjHicM
Name 4-(4-Pentafluorophenyloxycarbonyl-butyryl)-piperazine-1-carboxylic acid tert-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.152712659 u
Formula C20H23F5N2O5
InChI InChI=1S/C20H23F5N2O5/c1-20(2,3)32-19(30)27-9-7-26(8-10-27)11(28)5-4-6-12(29)31-18-16(24)14(22)13(21)15(23)17(18)25/h4-10H2,1-3H3
InChIKey TZKNHMMYKDNLOQ-UHFFFAOYSA-N
Molecular Weight 466.405 g/mol
SMILES C1(=C(C(F)=C(C(=C1F)F)F)F)OC(=O)CCCC(N1CCN(C(OC(C)(C)C)=O)CC1)=O