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1-(2-ketocyclohexyl)-1H-isoquinoline-2-carboxylic acid ethyl ester
SpectraBase Compound ID 6KxBgkvaodr
InChI InChI=1S/C18H21NO3/c1-2-22-18(21)19-12-11-13-7-3-4-8-14(13)17(19)15-9-5-6-10-16(15)20/h3-4,7-8,11-12,15,17H,2,5-6,9-10H2,1H3
InChIKey YDSDSEXKEFPTGE-UHFFFAOYSA-N
Mol Weight 299.37 g/mol
Molecular Formula C18H21NO3
Exact Mass 299.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46oSOt6f3GL
Name 1-(2-ketocyclohexyl)-1H-isoquinoline-2-carboxylic acid ethyl ester
CAS Registry Number 81357-99-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO3
InChI InChI=1S/C18H21NO3/c1-2-22-18(21)19-12-11-13-7-3-4-8-14(13)17(19)15-9-5-6-10-16(15)20/h3-4,7-8,11-12,15,17H,2,5-6,9-10H2,1H3
InChIKey YDSDSEXKEFPTGE-UHFFFAOYSA-N
Molecular Weight 299.370 g/mol
SMILES C1(N(C=Cc2ccccc12)C(=O)OCC)C1C(=O)CCCC1
SPLASH splash10-0ue9-0790000000-111f4377f70e51c1a74a
Source of Spectrum J-50-66-3
Synonyms 1-(2-oxocyclohexyl)-1H-isoquinoline-2-carboxylic acid ethyl ester Ethyl 1-(2-oxidanylidenecyclohexyl)-1H-isoquinoline-2-carboxylate Ethyl 1-(2-oxocyclohexyl)-1H-isoquinoline-2-carboxylate
Wiley ID 1302150