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2-(ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)-1,2-dihydroisoquinoline
SpectraBase Compound ID Cma5cQLL22K
InChI InChI=1S/C20H19NO3/c1-2-24-20(23)21-13-12-15-8-6-7-11-17(15)18(21)14-19(22)16-9-4-3-5-10-16/h3-13,18H,2,14H2,1H3
InChIKey IJPCZXUYIPQVJR-UHFFFAOYSA-N
Mol Weight 321.38 g/mol
Molecular Formula C20H19NO3
Exact Mass 321.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQdGN0OSQW4
Name 2-(ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)-1,2-dihydroisoquinoline
Alternate Name(s) Ethyl 1-(2-oxo-2-phenylethyl)-2(1H)-isoquinolinecarboxylate 2(1H)-Isoquinolinecarboxylic acid, 1-(2-oxo-2-phenylethyl)-, ethyl ester Ethyl 1-phenacyl-1H-isoquinoline-2-carboxylate
CAS Registry Number 81357-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19NO3
InChI InChI=1S/C20H19NO3/c1-2-24-20(23)21-13-12-15-8-6-7-11-17(15)18(21)14-19(22)16-9-4-3-5-10-16/h3-13,18H,2,14H2,1H3
InChIKey IJPCZXUYIPQVJR-UHFFFAOYSA-N
Molecular Weight 321.376 g/mol
SMILES C1(N(C=Cc2ccccc12)C(=O)OCC)CC(=O)c1ccccc1
SPLASH splash10-0udi-0290000000-60e861b81805d2c2ac45
Source of Spectrum J-50-65-3
Wiley ID 1321059