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1,4-piperazinediacetamide, N~1~-(4-bromophenyl)-N~4~-(3,4-difluorophenyl)-

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1,4-piperazinediacetamide, N~1~-(4-bromophenyl)-N~4~-(3,4-difluorophenyl)-
SpectraBase Compound ID 5CPqCi3d4uM
InChI InChI=1S/C20H21BrF2N4O2/c21-14-1-3-15(4-2-14)24-19(28)12-26-7-9-27(10-8-26)13-20(29)25-16-5-6-17(22)18(23)11-16/h1-6,11H,7-10,12-13H2,(H,24,28)(H,25,29)
InChIKey WWZIDWRVMHDOEC-UHFFFAOYSA-N
Mol Weight 467.31 g/mol
Molecular Formula C20H21BrF2N4O2
Exact Mass 466.081595 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FykX49Tcc6P
Name 1,4-Piperazinediacetamide, N~1~-(4-bromophenyl)-N~4~-(3,4-difluorophenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 466.081595256 u
Formula C20H21BrF2N4O2
InChI InChI=1S/C20H21BrF2N4O2/c21-14-1-3-15(4-2-14)24-19(28)12-26-7-9-27(10-8-26)13-20(29)25-16-5-6-17(22)18(23)11-16/h1-6,11H,7-10,12-13H2,(H,24,28)(H,25,29)
InChIKey WWZIDWRVMHDOEC-UHFFFAOYSA-N
Molecular Weight 467.315 g/mol
SMILES N(C(CN1CCN(CC(NC=2C=CC(=CC2)Br)=O)CC1)=O)C1=CC(F)=C(C=C1)F