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Benzamide, N-[(6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)methyl]-4-methyl-
SpectraBase Compound ID 3Xf1fFhzHjN
InChI InChI=1S/C28H28N2O5/c1-17-6-8-18(9-7-17)28(31)30-26(20-10-11-22(32-2)23(15-20)33-3)27-21-16-25(35-5)24(34-4)14-19(21)12-13-29-27/h6-16,26H,1-5H3,(H,30,31)
InChIKey BZDULKGWCHBIAF-UHFFFAOYSA-N
Mol Weight 472.54 g/mol
Molecular Formula C28H28N2O5
Exact Mass 472.199822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L7JTRqR7u27
Name Benzamide, N-[(6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)methyl]-4-methyl-
Comments Computed using HOSE algorithm
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Exact Mass 472.199822005 u
Formula C28H28N2O5
InChI InChI=1S/C28H28N2O5/c1-17-6-8-18(9-7-17)28(31)30-26(20-10-11-22(32-2)23(15-20)33-3)27-21-16-25(35-5)24(34-4)14-19(21)12-13-29-27/h6-16,26H,1-5H3,(H,30,31)
InChIKey BZDULKGWCHBIAF-UHFFFAOYSA-N
Molecular Weight 472.541 g/mol
SMILES C=1(C=C2C=CN=C(C(C=3C=CC(OC)=C(OC)C3)NC(C3=CC=C(C=C3)C)=O)C2=CC1OC)OC