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8H-Isoquino[2,1-b][2,7]naphthyridin-8-one, 12-acetyl-5,6-dihydro-2-methoxy-3-(phenylmethoxy)-
SpectraBase Compound ID 7wnSPY7UZuH
InChI InChI=1S/C26H22N2O4/c1-16(29)21-13-27-14-22-20(21)11-23-19-12-24(31-2)25(32-15-17-6-4-3-5-7-17)10-18(19)8-9-28(23)26(22)30/h3-7,10-14H,8-9,15H2,1-2H3
InChIKey QFQUPLLJSJGQMC-UHFFFAOYSA-N
Mol Weight 426.47 g/mol
Molecular Formula C26H22N2O4
Exact Mass 426.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kk3wDt6rvau
Name 8H-Isoquino[2,1-B][2,7]naphthyridin-8-one, 12-acetyl-5,6-dihydro-2-methoxy-3-(phenylmethoxy)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.157957192 u
Formula C26H22N2O4
InChI InChI=1S/C26H22N2O4/c1-16(29)21-13-27-14-22-20(21)11-23-19-12-24(31-2)25(32-15-17-6-4-3-5-7-17)10-18(19)8-9-28(23)26(22)30/h3-7,10-14H,8-9,15H2,1-2H3
InChIKey QFQUPLLJSJGQMC-UHFFFAOYSA-N
Molecular Weight 426.472 g/mol
SMILES C1=2N(C(=O)C=3C(C2)=C(C(=O)C)C=NC3)CCC2=C1C=C(C(OCC1=CC=CC=C1)=C2)OC