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2-[(2-benzoyl-1-cyano-1-isoquinolinyl)methyl]benzoic acid ethyl ester
SpectraBase Compound ID Fsj50VJw0Uc
InChI InChI=1S/C27H22N2O3/c1-2-32-26(31)23-14-8-6-13-22(23)18-27(19-28)24-15-9-7-10-20(24)16-17-29(27)25(30)21-11-4-3-5-12-21/h3-17H,2,18H2,1H3
InChIKey CZERVWIVCWCPAI-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 Ldf6ol6JHhY
Name 2-[(2-benzoyl-1-cyano-1-isoquinolinyl)methyl]benzoic acid ethyl ester
Alternate Name(s) 2-[(2-benzoyl-1-cyano-1-isoquinolyl)methyl]benzoic acid ethyl ester Ethyl 2-[(2-benzoyl-1-cyano-1-isoquinolyl)methyl]benzoate Ethyl 2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]benzoate Ethyl 2-[[1-cyano-2-(phenylcarbonyl)isoquinolin-1-yl]methyl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22N2O3
InChI InChI=1S/C27H22N2O3/c1-2-32-26(31)23-14-8-6-13-22(23)18-27(19-28)24-15-9-7-10-20(24)16-17-29(27)25(30)21-11-4-3-5-12-21/h3-17H,2,18H2,1H3
InChIKey CZERVWIVCWCPAI-UHFFFAOYSA-N
Molecular Weight 422.484 g/mol
SMILES C1(N(C(=O)c2ccccc2)C=Cc2c1cccc2)(Cc1c(C(=O)OCC)cccc1)C#N
SPLASH splash10-0a4i-0690000000-18a1ca88b410001036fe
Source of Spectrum AH-123-944-6
Wiley ID 1378763