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

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1,4-piperazinediacetamide, N~1~-(3,4-difluorophenyl)-N~4~-(4-methoxyphenyl)-
SpectraBase Compound ID Lf0w9NIAe6V
InChI InChI=1S/C21H24F2N4O3/c1-30-17-5-2-15(3-6-17)24-20(28)13-26-8-10-27(11-9-26)14-21(29)25-16-4-7-18(22)19(23)12-16/h2-7,12H,8-11,13-14H2,1H3,(H,24,28)(H,25,29)
InChIKey FMROLEUBBUYHEG-UHFFFAOYSA-N
Mol Weight 418.44 g/mol
Molecular Formula C21H24F2N4O3
Exact Mass 418.181647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CIlZv6kTBKZ
Name 1,4-Piperazinediacetamide, N~1~-(3,4-difluorophenyl)-N~4~-(4-methoxyphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.181646972 u
Formula C21H24F2N4O3
InChI InChI=1S/C21H24F2N4O3/c1-30-17-5-2-15(3-6-17)24-20(28)13-26-8-10-27(11-9-26)14-21(29)25-16-4-7-18(22)19(23)12-16/h2-7,12H,8-11,13-14H2,1H3,(H,24,28)(H,25,29)
InChIKey FMROLEUBBUYHEG-UHFFFAOYSA-N
Molecular Weight 418.445 g/mol
SMILES N(C(CN1CCN(CC(NC2=CC=C(C=C2)OC)=O)CC1)=O)C1=CC(F)=C(C=C1)F