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Ethyl 2-[(2'-<p-methylbenzoyl>-1'-cyano-1',2'-dihydroisoquinolin-1'-yl)methyl]-benzoate
SpectraBase Compound ID C6iT6v7uuxs
InChI InChI=1S/C28H24N2O3/c1-3-33-27(32)24-10-6-4-9-23(24)18-28(19-29)25-11-7-5-8-21(25)16-17-30(28)26(31)22-14-12-20(2)13-15-22/h4-17H,3,18H2,1-2H3
InChIKey JEQHXIAPBZOMRG-UHFFFAOYSA-N
Mol Weight 436.51 g/mol
Molecular Formula C28H24N2O3
Exact Mass 436.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GsFUQihtBNp
Name Ethyl 2-[(2'--1'-cyano-1',2'-dihydroisoquinolin-1'-yl)methyl]-benzoate
Alternate Name(s) Ethyl 2-{[1-cyano-2-(4-methylbenzoyl)-1,2-dihydro-1-isoquinolinyl]methyl}benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H24N2O3
InChI InChI=1S/C28H24N2O3/c1-3-33-27(32)24-10-6-4-9-23(24)18-28(19-29)25-11-7-5-8-21(25)16-17-30(28)26(31)22-14-12-20(2)13-15-22/h4-17H,3,18H2,1-2H3
InChIKey JEQHXIAPBZOMRG-UHFFFAOYSA-N
Molecular Weight 436.511 g/mol
SMILES C1(N(C(c2ccc(cc2)C)=O)C=Cc2c1cccc2)(Cc1c(C(=O)OCC)cccc1)C#N
SPLASH splash10-014i-0960000000-e4458eab1a502eb99a02
Source of Spectrum AH-134-1000-4
Wiley ID 1546920