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1-Piperazinecarboxylic acid, 4-[[[4-[[[4-(ethoxycarbonyl)-1-piperazinyl]carbonyl]amino]phenyl]amino]carbonyl]-, ethyl ester

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1-Piperazinecarboxylic acid, 4-[[[4-[[[4-(ethoxycarbonyl)-1-piperazinyl]carbonyl]amino]phenyl]amino]carbonyl]-, ethyl ester
SpectraBase Compound ID Eyr3SgdriXF
InChI InChI=1S/C22H32N6O6/c1-3-33-21(31)27-13-9-25(10-14-27)19(29)23-17-5-7-18(8-6-17)24-20(30)26-11-15-28(16-12-26)22(32)34-4-2/h5-8H,3-4,9-16H2,1-2H3,(H,23,29)(H,24,30)
InChIKey DYODAPJHYDHRIR-UHFFFAOYSA-N
Mol Weight 476.5 g/mol
Molecular Formula C22H32N6O6
Exact Mass 476.238333 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3DA5bdNQNfx
Name 1-Piperazinecarboxylic acid, 4-[[[4-[[[4-(ethoxycarbonyl)-1-piperazinyl]carbonyl]amino]phenyl]amino]carbonyl]-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.238332768 u
Formula C22H32N6O6
InChI InChI=1S/C22H32N6O6/c1-3-33-21(31)27-13-9-25(10-14-27)19(29)23-17-5-7-18(8-6-17)24-20(30)26-11-15-28(16-12-26)22(32)34-4-2/h5-8H,3-4,9-16H2,1-2H3,(H,23,29)(H,24,30)
InChIKey DYODAPJHYDHRIR-UHFFFAOYSA-N
Molecular Weight 476.534 g/mol
SMILES N(C(N1CCN(CC1)C(=O)OCC)=O)C1=CC=C(NC(N2CCN(CC2)C(=O)OCC)=O)C=C1