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1,4-piperazinediacetamide, N~1~-[4-(dimethylamino)phenyl]-N~4~-(4-ethoxyphenyl)-
SpectraBase Compound ID 25oXgFc0HES
InChI InChI=1S/C24H33N5O3/c1-4-32-22-11-7-20(8-12-22)26-24(31)18-29-15-13-28(14-16-29)17-23(30)25-19-5-9-21(10-6-19)27(2)3/h5-12H,4,13-18H2,1-3H3,(H,25,30)(H,26,31)
InChIKey GVLPMMMOQFVXCS-UHFFFAOYSA-N
Mol Weight 439.6 g/mol
Molecular Formula C24H33N5O3
Exact Mass 439.25834 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JMm1jTI4uiJ
Name 1,4-Piperazinediacetamide, N~1~-[4-(dimethylamino)phenyl]-N~4~-(4-ethoxyphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.258339940 u
Formula C24H33N5O3
InChI InChI=1S/C24H33N5O3/c1-4-32-22-11-7-20(8-12-22)26-24(31)18-29-15-13-28(14-16-29)17-23(30)25-19-5-9-21(10-6-19)27(2)3/h5-12H,4,13-18H2,1-3H3,(H,25,30)(H,26,31)
InChIKey GVLPMMMOQFVXCS-UHFFFAOYSA-N
Molecular Weight 439.560 g/mol
SMILES N(C(CN1CCN(CC(NC=2C=CC(=CC2)N(C)C)=O)CC1)=O)C=1C=CC(=CC1)OCC