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1,4-piperazinediacetamide, N~1~-[4-(dimethylamino)phenyl]-N~4~-(2-fluorophenyl)-

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1,4-piperazinediacetamide, N~1~-[4-(dimethylamino)phenyl]-N~4~-(2-fluorophenyl)-
SpectraBase Compound ID 6rFKiZqffuM
InChI InChI=1S/C22H28FN5O2/c1-26(2)18-9-7-17(8-10-18)24-21(29)15-27-11-13-28(14-12-27)16-22(30)25-20-6-4-3-5-19(20)23/h3-10H,11-16H2,1-2H3,(H,24,29)(H,25,30)
InChIKey DRCUEMVVBPWNBZ-UHFFFAOYSA-N
Mol Weight 413.5 g/mol
Molecular Formula C22H28FN5O2
Exact Mass 413.222703 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DzeEtbNmI6U
Name 1,4-Piperazinediacetamide, N~1~-[4-(dimethylamino)phenyl]-N~4~-(2-fluorophenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.222703323 u
Formula C22H28FN5O2
InChI InChI=1S/C22H28FN5O2/c1-26(2)18-9-7-17(8-10-18)24-21(29)15-27-11-13-28(14-12-27)16-22(30)25-20-6-4-3-5-19(20)23/h3-10H,11-16H2,1-2H3,(H,24,29)(H,25,30)
InChIKey DRCUEMVVBPWNBZ-UHFFFAOYSA-N
Molecular Weight 413.497 g/mol
SMILES N(C(CN1CCN(CC(NC=2C=CC(=CC2)N(C)C)=O)CC1)=O)C1=C(F)C=CC=C1