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2H-1-benzopyran-2-one, 7-methoxy-4-methyl-3-[2-oxo-2-[4-[2-(2-pyridinyl)ethyl]-1-piperazinyl]ethyl]-
SpectraBase Compound ID 4P4DW5shnzP
InChI InChI=1S/C24H27N3O4/c1-17-20-7-6-19(30-2)15-22(20)31-24(29)21(17)16-23(28)27-13-11-26(12-14-27)10-8-18-5-3-4-9-25-18/h3-7,9,15H,8,10-14,16H2,1-2H3
InChIKey QBGUEBATNNSNLA-UHFFFAOYSA-N
Mol Weight 421.5 g/mol
Molecular Formula C24H27N3O4
Exact Mass 421.200156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fm3tM4wjInz
Name 2H-1-Benzopyran-2-one, 7-methoxy-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 421.200156357 u
Formula C24H27N3O4
InChI InChI=1S/C24H27N3O4/c1-17-20-7-6-19(30-2)15-22(20)31-24(29)21(17)16-23(28)27-13-11-26(12-14-27)10-8-18-5-3-4-9-25-18/h3-7,9,15H,8,10-14,16H2,1-2H3
InChIKey QBGUEBATNNSNLA-UHFFFAOYSA-N
Molecular Weight 421.497 g/mol
SMILES C=1(C(OC=2C(C1C)=CC=C(OC)C2)=O)CC(N1CCN(CC1)CCC1=NC=CC=C1)=O