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2-(4-bromophenyl)-1-(4-chlorophenyl)-6,7-diethoxy-1,4-dihydro-3(2H)-isoquinolinone

View entire compound with spectra: 2 NMR

2-(4-bromophenyl)-1-(4-chlorophenyl)-6,7-diethoxy-1,4-dihydro-3(2H)-isoquinolinone
SpectraBase Compound ID 4EWQPCYvnyS
InChI InChI=1S/C25H23BrClNO3/c1-3-30-22-13-17-14-24(29)28(20-11-7-18(26)8-12-20)25(16-5-9-19(27)10-6-16)21(17)15-23(22)31-4-2/h5-13,15,25H,3-4,14H2,1-2H3
InChIKey CQCLCGCPLLZKLU-UHFFFAOYSA-N
Mol Weight 500.82 g/mol
Molecular Formula C25H23BrClNO3
Exact Mass 499.054984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8D8GpTVDPBe
Name 2-(4-Bromophenyl)-1-(4-chlorophenyl)-6,7-diethoxy-1,4-dihydro-3(2H)-isoquinolinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 499.054984302 u
Formula C25H23BrClNO3
InChI InChI=1S/C25H23BrClNO3/c1-3-30-22-13-17-14-24(29)28(20-11-7-18(26)8-12-20)25(16-5-9-19(27)10-6-16)21(17)15-23(22)31-4-2/h5-13,15,25H,3-4,14H2,1-2H3
InChIKey CQCLCGCPLLZKLU-UHFFFAOYSA-N
Molecular Weight 500.820 g/mol
SMILES CCOC=1C=C2C(N(C(CC2=CC1OCC)=O)C1=CC=C(C=C1)Br)C1=CC=C(C=C1)Cl