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Ethyl 2-[(2'-benzoyl-1',2'-dihydro-1'-formyl-1'-isoquinolyl)methyl]benzoate
SpectraBase Compound ID 5ZlNZYS4BBn
InChI InChI=1S/C27H23NO4/c1-2-32-26(31)23-14-8-6-13-22(23)18-27(19-29)24-15-9-7-10-20(24)16-17-28(27)25(30)21-11-4-3-5-12-21/h3-17,19H,2,18H2,1H3
InChIKey KPKMCGKNCIEKPI-UHFFFAOYSA-N
Mol Weight 425.48 g/mol
Molecular Formula C27H23NO4
Exact Mass 425.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7IA9YXowxQo
Name Ethyl 2-[(2'-benzoyl-1',2'-dihydro-1'-formyl-1'-isoquinolyl)methyl]benzoate
Alternate Name(s) Ethyl 2-[(2-benzoyl-1-formyl-1,2-dihydro-1-isoquinolinyl)methyl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23NO4
InChI InChI=1S/C27H23NO4/c1-2-32-26(31)23-14-8-6-13-22(23)18-27(19-29)24-15-9-7-10-20(24)16-17-28(27)25(30)21-11-4-3-5-12-21/h3-17,19H,2,18H2,1H3
InChIKey KPKMCGKNCIEKPI-UHFFFAOYSA-N
Molecular Weight 425.484 g/mol
SMILES C1(N(C=Cc2ccccc12)C(=O)c1ccccc1)(Cc1c(C(=O)OCC)cccc1)C=O
SPLASH splash10-0a6r-0901600000-b6e35968bed08450bccd
Source of Spectrum AH-131-78-3
Wiley ID 770871