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Isopropyl 2-[(2'-benzoyl-1'-cyano-1',2'-dihydroisoquinolin-1'-yl)methyl]-benzoate
SpectraBase Compound ID 2cILMCotEhI
InChI InChI=1S/C28H24N2O3/c1-20(2)33-27(32)24-14-8-6-13-23(24)18-28(19-29)25-15-9-7-10-21(25)16-17-30(28)26(31)22-11-4-3-5-12-22/h3-17,20H,18H2,1-2H3
InChIKey IBGXWDCYFQQATB-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 HkwpgZuh3R8
Name Isopropyl 2-[(2'-benzoyl-1'-cyano-1',2'-dihydroisoquinolin-1'-yl)methyl]-benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H24N2O3
InChI InChI=1S/C28H24N2O3/c1-20(2)33-27(32)24-14-8-6-13-23(24)18-28(19-29)25-15-9-7-10-21(25)16-17-30(28)26(31)22-11-4-3-5-12-22/h3-17,20H,18H2,1-2H3
InChIKey IBGXWDCYFQQATB-UHFFFAOYSA-N
Molecular Weight 436.511 g/mol
SMILES C1(N(C(=O)c2ccccc2)C=Cc2c1cccc2)(Cc1c(C(OC(C)C)=O)cccc1)C#N
SPLASH splash10-0a4i-0940000000-988444cf6d94f2e597df
Source of Spectrum AH-134-1000-4
Synonyms isopropyl 2-[(2-benzoyl-1-cyano-1,2-dihydro-1-isoquinolinyl)methyl]benzoate
Wiley ID 1546923