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1,4-piperazinediacetamide, N~1~-(4-ethoxyphenyl)-N~4~-[3-(trifluoromethyl)phenyl]-

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1,4-piperazinediacetamide, N~1~-(4-ethoxyphenyl)-N~4~-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID 5thbMXHc7Kf
InChI InChI=1S/C23H27F3N4O3/c1-2-33-20-8-6-18(7-9-20)27-21(31)15-29-10-12-30(13-11-29)16-22(32)28-19-5-3-4-17(14-19)23(24,25)26/h3-9,14H,2,10-13,15-16H2,1H3,(H,27,31)(H,28,32)
InChIKey RUVYBDIZUNBIHK-UHFFFAOYSA-N
Mol Weight 464.49 g/mol
Molecular Formula C23H27F3N4O3
Exact Mass 464.203525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J1r4HqZe9MF
Name 1,4-Piperazinediacetamide, N~1~-(4-ethoxyphenyl)-N~4~-[3-(trifluoromethyl)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.203525231 u
Formula C23H27F3N4O3
InChI InChI=1S/C23H27F3N4O3/c1-2-33-20-8-6-18(7-9-20)27-21(31)15-29-10-12-30(13-11-29)16-22(32)28-19-5-3-4-17(14-19)23(24,25)26/h3-9,14H,2,10-13,15-16H2,1H3,(H,27,31)(H,28,32)
InChIKey RUVYBDIZUNBIHK-UHFFFAOYSA-N
Molecular Weight 464.489 g/mol
SMILES N(C(CN1CCN(CC(NC=2C=CC(=CC2)OCC)=O)CC1)=O)C=1C=C(C(F)(F)F)C=CC1