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1,4-piperazinediacetamide, N~1~-[4-(diethylamino)phenyl]-N~4~-(4-ethoxyphenyl)-
SpectraBase Compound ID AcgkGIHseF9
InChI InChI=1S/C26H37N5O3/c1-4-31(5-2)23-11-7-21(8-12-23)27-25(32)19-29-15-17-30(18-16-29)20-26(33)28-22-9-13-24(14-10-22)34-6-3/h7-14H,4-6,15-20H2,1-3H3,(H,27,32)(H,28,33)
InChIKey SLYIGDQBPFSNSO-UHFFFAOYSA-N
Mol Weight 467.6 g/mol
Molecular Formula C26H37N5O3
Exact Mass 467.28964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F6TtW268dhz
Name 1,4-Piperazinediacetamide, N~1~-[4-(diethylamino)phenyl]-N~4~-(4-ethoxyphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.289640068 u
Formula C26H37N5O3
InChI InChI=1S/C26H37N5O3/c1-4-31(5-2)23-11-7-21(8-12-23)27-25(32)19-29-15-17-30(18-16-29)20-26(33)28-22-9-13-24(14-10-22)34-6-3/h7-14H,4-6,15-20H2,1-3H3,(H,27,32)(H,28,33)
InChIKey SLYIGDQBPFSNSO-UHFFFAOYSA-N
Molecular Weight 467.614 g/mol
SMILES N(C(CN1CCN(CC(NC=2C=CC(=CC2)N(CC)CC)=O)CC1)=O)C=1C=CC(=CC1)OCC