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2-Benzoyl-1-(2-methoxycarbonylbenzyl)-1-cyano-1,2-dihydroisoquinoline
SpectraBase Compound ID GDxzdgR4XzR
InChI InChI=1S/C26H20N2O3/c1-31-25(30)22-13-7-5-12-21(22)17-26(18-27)23-14-8-6-9-19(23)15-16-28(26)24(29)20-10-3-2-4-11-20/h2-16H,17H2,1H3
InChIKey BIXQXMYHOLYLRO-UHFFFAOYSA-N
Mol Weight 408.46 g/mol
Molecular Formula C26H20N2O3
Exact Mass 408.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VdSllY9A4O
Name 2-Benzoyl-1-(2-methoxycarbonylbenzyl)-1-cyano-1,2-dihydroisoquinoline
Alternate Name(s) Methyl 2-[(2-benzoyl-1-cyano-1,2-dihydro-1-isoquinolinyl)methyl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20N2O3
InChI InChI=1S/C26H20N2O3/c1-31-25(30)22-13-7-5-12-21(22)17-26(18-27)23-14-8-6-9-19(23)15-16-28(26)24(29)20-10-3-2-4-11-20/h2-16H,17H2,1H3
InChIKey BIXQXMYHOLYLRO-UHFFFAOYSA-N
Molecular Weight 408.457 g/mol
SMILES C1(N(C(=O)c2ccccc2)C=Cc2c1cccc2)(Cc1c(C(=O)OC)cccc1)C#N
SPLASH splash10-0a4i-0790000000-0eb709b82336a1993787
Source of Spectrum AH-123-944-6
Wiley ID 1373120