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2-Benzoyl-1-(2-ethoxycarbonyl-3-methoxybenzyl)-1-cyano-1,2-dihydroisoquinoline
SpectraBase Compound ID Cxy3jMTzPS1
InChI InChI=1S/C28H24N2O4/c1-3-34-27(32)25-22(13-9-15-24(25)33-2)18-28(19-29)23-14-8-7-10-20(23)16-17-30(28)26(31)21-11-5-4-6-12-21/h4-17H,3,18H2,1-2H3
InChIKey PEUIRXBARSZZKV-UHFFFAOYSA-N
Mol Weight 452.51 g/mol
Molecular Formula C28H24N2O4
Exact Mass 452.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzoKKDMyB3J
Name 2-Benzoyl-1-(2-ethoxycarbonyl-3-methoxybenzyl)-1-cyano-1,2-dihydroisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H24N2O4
InChI InChI=1S/C28H24N2O4/c1-3-34-27(32)25-22(13-9-15-24(25)33-2)18-28(19-29)23-14-8-7-10-20(23)16-17-30(28)26(31)21-11-5-4-6-12-21/h4-17H,3,18H2,1-2H3
InChIKey PEUIRXBARSZZKV-UHFFFAOYSA-N
Molecular Weight 452.510 g/mol
SMILES C1(N(C(=O)c2ccccc2)C=Cc2c1cccc2)(Cc1c(C(=O)OCC)c(OC)ccc1)C#N
SPLASH splash10-0a4i-0970000000-84996fc8673fde18f497
Source of Spectrum AH-123-944-6
Synonyms Ethyl 2-[(2-benzoyl-1-cyano-1,2-dihydro-1-isoquinolinyl)methyl]-6-methoxybenzoate
Wiley ID 1388346