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2H-1-benzopyran-2-one, 5,7-dihydroxy-4-methyl-3-[2-oxo-2-[4-[2-(2-pyridinyl)ethyl]-1-piperazinyl]ethyl]-
SpectraBase Compound ID 86mK4PuyMyQ
InChI InChI=1S/C23H25N3O5/c1-15-18(23(30)31-20-13-17(27)12-19(28)22(15)20)14-21(29)26-10-8-25(9-11-26)7-5-16-4-2-3-6-24-16/h2-4,6,12-13,27-28H,5,7-11,14H2,1H3
InChIKey DQGFZUAJJVGNSR-UHFFFAOYSA-N
Mol Weight 423.47 g/mol
Molecular Formula C23H25N3O5
Exact Mass 423.179421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ga2GonkOwE9
Name 2H-1-Benzopyran-2-one, 5,7-dihydroxy-4-methyl-3-[2-oxo-2-[4-[2-(2-pyridinyl)ethyl]-1-piperazinyl]ethyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.179420912 u
Formula C23H25N3O5
InChI InChI=1S/C23H25N3O5/c1-15-18(23(30)31-20-13-17(27)12-19(28)22(15)20)14-21(29)26-10-8-25(9-11-26)7-5-16-4-2-3-6-24-16/h2-4,6,12-13,27-28H,5,7-11,14H2,1H3
InChIKey DQGFZUAJJVGNSR-UHFFFAOYSA-N
Molecular Weight 423.469 g/mol
SMILES OC=1C=C2OC(C(=C(C2=C(C1)O)C)CC(N1CCN(CC1)CCC1=NC=CC=C1)=O)=O