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1-(2-Fluorophenyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine

View entire compound with spectra: 2 NMR

1-(2-Fluorophenyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine
SpectraBase Compound ID CaNDaVcbLv1
InChI InChI=1S/C17H12F6N2O/c18-9-3-1-2-4-10(9)24-5-7-25(8-6-24)17(26)11-12(19)14(21)16(23)15(22)13(11)20/h1-4H,5-8H2
InChIKey ALOVSMVVWSVLAY-UHFFFAOYSA-N
Mol Weight 374.29 g/mol
Molecular Formula C17H12F6N2O
Exact Mass 374.085382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BNvgIAaiQ01
Name 1-(2-Fluorophenyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine
Comments Computed using HOSE algorithm
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Exact Mass 374.085381991 u
Formula C17H12F6N2O
InChI InChI=1S/C17H12F6N2O/c18-9-3-1-2-4-10(9)24-5-7-25(8-6-24)17(26)11-12(19)14(21)16(23)15(22)13(11)20/h1-4H,5-8H2
InChIKey ALOVSMVVWSVLAY-UHFFFAOYSA-N
Molecular Weight 374.286 g/mol
SMILES C(C1=C(C(F)=C(C(=C1F)F)F)F)(=O)N1CCN(C=2C(F)=CC=CC2)CC1