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Methyl 2-[(2'-<p-methylbenzoyl>-1'-cyano-1',2'-dihydroisoquinolin-1'-yl)methyl]-benzoate
SpectraBase Compound ID DlK8sH14fdm
InChI InChI=1S/C27H22N2O3/c1-19-11-13-21(14-12-19)25(30)29-16-15-20-7-4-6-10-24(20)27(29,18-28)17-22-8-3-5-9-23(22)26(31)32-2/h3-16H,17H2,1-2H3
InChIKey RMZRPWKYROUPKB-UHFFFAOYSA-N
Mol Weight 422.48 g/mol
Molecular Formula C27H22N2O3
Exact Mass 422.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20DYe0Zo6xU
Name Methyl 2-[(2'--1'-cyano-1',2'-dihydroisoquinolin-1'-yl)methyl]-benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22N2O3
InChI InChI=1S/C27H22N2O3/c1-19-11-13-21(14-12-19)25(30)29-16-15-20-7-4-6-10-24(20)27(29,18-28)17-22-8-3-5-9-23(22)26(31)32-2/h3-16H,17H2,1-2H3
InChIKey RMZRPWKYROUPKB-UHFFFAOYSA-N
Molecular Weight 422.484 g/mol
SMILES C1(N(C(c2ccc(cc2)C)=O)C=Cc2c1cccc2)(Cc1c(C(=O)OC)cccc1)C#N
SPLASH splash10-014i-0930000000-f8da3dd963ec675b5f29
Source of Spectrum AH-134-1000-4
Synonyms Methyl 2-{[1-cyano-2-(4-methylbenzoyl)-1,2-dihydro-1-isoquinolinyl]methyl}benzoate
Wiley ID 1546921