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Methyl 2-[(2'-<p-methoxybenzoyl>-1'-cyano-1',2'-dihydroisoquinolin-1'-yl)methyl]-benzoate
SpectraBase Compound ID Zo2Ny5yj1M
InChI InChI=1S/C27H22N2O4/c1-32-22-13-11-20(12-14-22)25(30)29-16-15-19-7-4-6-10-24(19)27(29,18-28)17-21-8-3-5-9-23(21)26(31)33-2/h3-16H,17H2,1-2H3
InChIKey IMSKHKIMKVGSDY-UHFFFAOYSA-N
Mol Weight 438.48 g/mol
Molecular Formula C27H22N2O4
Exact Mass 438.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9aUXyXqCnsh
Name Methyl 2-[(2'--1'-cyano-1',2'-dihydroisoquinolin-1'-yl)methyl]-benzoate
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Formula C27H22N2O4
InChI InChI=1S/C27H22N2O4/c1-32-22-13-11-20(12-14-22)25(30)29-16-15-19-7-4-6-10-24(19)27(29,18-28)17-21-8-3-5-9-23(21)26(31)33-2/h3-16H,17H2,1-2H3
InChIKey IMSKHKIMKVGSDY-UHFFFAOYSA-N
Molecular Weight 438.483 g/mol
SMILES C1(N(C(c2ccc(cc2)OC)=O)C=Cc2c1cccc2)(Cc1c(C(=O)OC)cccc1)C#N
SPLASH splash10-000i-0940000000-eb393f8c282b66201b76
Source of Spectrum AH-134-1000-4
Synonyms Methyl 2-{[1-cyano-2-(4-methoxybenzoyl)-1,2-dihydro-1-isoquinolinyl]methyl}benzoate
Wiley ID 1546919