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6,7-diethoxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)-1,4-dihydro-3(2H)-isoquinolinone

View entire compound with spectra: 2 NMR

6,7-diethoxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)-1,4-dihydro-3(2H)-isoquinolinone
SpectraBase Compound ID FJU79Nsoiwo
InChI InChI=1S/C27H29NO4/c1-5-31-24-15-20-16-26(29)28(21-11-7-18(3)8-12-21)27(23(20)17-25(24)32-6-2)19-9-13-22(30-4)14-10-19/h7-15,17,27H,5-6,16H2,1-4H3
InChIKey AKTSCGDUUPTRRN-UHFFFAOYSA-N
Mol Weight 431.53 g/mol
Molecular Formula C27H29NO4
Exact Mass 431.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AVBGuQJmId0
Name 6,7-Diethoxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)-1,4-dihydro-3(2H)-isoquinolinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.209658414 u
Formula C27H29NO4
InChI InChI=1S/C27H29NO4/c1-5-31-24-15-20-16-26(29)28(21-11-7-18(3)8-12-21)27(23(20)17-25(24)32-6-2)19-9-13-22(30-4)14-10-19/h7-15,17,27H,5-6,16H2,1-4H3
InChIKey AKTSCGDUUPTRRN-UHFFFAOYSA-N
Molecular Weight 431.532 g/mol
SMILES CCOC1=C(C=C2C(N(C(CC2=C1)=O)C1=CC=C(C=C1)C)C1=CC=C(C=C1)OC)OCC