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1,4-bis-(N-(9,10-Dioxo-9,10-dihydroanthracen-1-yl)propionamide-2-yl)piperazine

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1,4-bis-(N-(9,10-Dioxo-9,10-dihydroanthracen-1-yl)propionamide-2-yl)piperazine
SpectraBase Compound ID 1RXuwVImMrI
InChI InChI=1S/C38H32N4O6/c1-21(37(47)39-29-15-7-13-27-31(29)35(45)25-11-5-3-9-23(25)33(27)43)41-17-19-42(20-18-41)22(2)38(48)40-30-16-8-14-28-32(30)36(46)26-12-6-4-10-24(26)34(28)44/h3-16,21-22H,17-20H2,1-2H3,(H,39,47)(H,40,48)
InChIKey LYGKAXZUQASLBB-UHFFFAOYSA-N
Mol Weight 640.7 g/mol
Molecular Formula C38H32N4O6
Exact Mass 640.232185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AlcHTlpcWT3
Name 1,4-bis-(N-(9,10-Dioxo-9,10-dihydroanthracen-1-yl)propionamide-2-yl)piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 640.232184760 u
Formula C38H32N4O6
InChI InChI=1S/C38H32N4O6/c1-21(37(47)39-29-15-7-13-27-31(29)35(45)25-11-5-3-9-23(25)33(27)43)41-17-19-42(20-18-41)22(2)38(48)40-30-16-8-14-28-32(30)36(46)26-12-6-4-10-24(26)34(28)44/h3-16,21-22H,17-20H2,1-2H3,(H,39,47)(H,40,48)
InChIKey LYGKAXZUQASLBB-UHFFFAOYSA-N
Molecular Weight 640.696 g/mol
SMILES C1=2C(C3=C(C(C2C=CC=C1NC(C(N1CCN(C(C(=O)NC2=C4C(C5=C(C(C4=CC=C2)=O)C=CC=C5)=O)C)CC1)C)=O)=O)C=CC=C3)=O