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benzamide, 2-[2-hydroxy-3-[4-[2-hydroxy-3-[2-[(phenylamino)carbonyl]phenoxy]propyl]-1-piperazinyl]propoxy]-N-phenyl-
SpectraBase Compound ID K0TK0zU94Ch
InChI InChI=1S/C36H40N4O6/c41-29(25-45-33-17-9-7-15-31(33)35(43)37-27-11-3-1-4-12-27)23-39-19-21-40(22-20-39)24-30(42)26-46-34-18-10-8-16-32(34)36(44)38-28-13-5-2-6-14-28/h1-18,29-30,41-42H,19-26H2,(H,37,43)(H,38,44)
InChIKey ACIFKDNILVRXFU-UHFFFAOYSA-N
Mol Weight 624.7 g/mol
Molecular Formula C36H40N4O6
Exact Mass 624.294785 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4qed6OseW2N
Name Benzamide, 2-[2-hydroxy-3-[4-[2-hydroxy-3-[2-[(phenylamino)carbonyl]phenoxy]propyl]-1-piperazinyl]propoxy]-N-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 624.294785018 u
Formula C36H40N4O6
InChI InChI=1S/C36H40N4O6/c41-29(25-45-33-17-9-7-15-31(33)35(43)37-27-11-3-1-4-12-27)23-39-19-21-40(22-20-39)24-30(42)26-46-34-18-10-8-16-32(34)36(44)38-28-13-5-2-6-14-28/h1-18,29-30,41-42H,19-26H2,(H,37,43)(H,38,44)
InChIKey ACIFKDNILVRXFU-UHFFFAOYSA-N
Molecular Weight 624.738 g/mol
SMILES N(C(C=1C(OCC(CN2CCN(CC(COC=3C(C(NC4=CC=CC=C4)=O)=CC=CC3)O)CC2)O)=CC=CC1)=O)C=1C=CC=CC1