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

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1,4-piperazinediacetamide, N~1~-(3-chloro-4-methoxyphenyl)-N~4~-(4-methoxyphenyl)-
SpectraBase Compound ID FT4Yt5iKnau
InChI InChI=1S/C22H27ClN4O4/c1-30-18-6-3-16(4-7-18)24-21(28)14-26-9-11-27(12-10-26)15-22(29)25-17-5-8-20(31-2)19(23)13-17/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKey FSBLDUWYUGBZHH-UHFFFAOYSA-N
Mol Weight 446.94 g/mol
Molecular Formula C22H27ClN4O4
Exact Mass 446.172083 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LeuQp1QBPnP
Name 1,4-Piperazinediacetamide, N~1~-(3-chloro-4-methoxyphenyl)-N~4~-(4-methoxyphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.172083061 u
Formula C22H27ClN4O4
InChI InChI=1S/C22H27ClN4O4/c1-30-18-6-3-16(4-7-18)24-21(28)14-26-9-11-27(12-10-26)15-22(29)25-17-5-8-20(31-2)19(23)13-17/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKey FSBLDUWYUGBZHH-UHFFFAOYSA-N
Molecular Weight 446.935 g/mol
SMILES N(C(CN1CCN(CC(NC=2C=CC(=CC2)OC)=O)CC1)=O)C1=CC(Cl)=C(C=C1)OC