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Ethyl 3-(isoquinolin-1-ylimino)-3-(2-oxocyclohexyl)propanoate
SpectraBase Compound ID LcRwXM4F7Vp
InChI InChI=1S/C20H22N2O3/c1-2-25-19(24)13-17(16-9-5-6-10-18(16)23)22-20-15-8-4-3-7-14(15)11-12-21-20/h3-4,7-8,11-12,16H,2,5-6,9-10,13H2,1H3/b22-17+
InChIKey LPBSYCMKKPAVAJ-OQKWZONESA-N
Mol Weight 338.41 g/mol
Molecular Formula C20H22N2O3
Exact Mass 338.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90gZTBI39A
Name Ethyl 3-(isoquinolin-1-ylimino)-3-(2-oxocyclohexyl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O3
InChI InChI=1S/C20H22N2O3/c1-2-25-19(24)13-17(16-9-5-6-10-18(16)23)22-20-15-8-4-3-7-14(15)11-12-21-20/h3-4,7-8,11-12,16H,2,5-6,9-10,13H2,1H3/b22-17+
InChIKey LPBSYCMKKPAVAJ-OQKWZONESA-N
Molecular Weight 338.407 g/mol
SMILES c1(\N=C/(CC(=O)OCC)C2C(=O)CCCC2)nccc2c1cccc2
SPLASH splash10-0umi-0691000000-3ed0229f1be66f22230f
Source of Spectrum JA-49-911-0
Synonyms Ethyl (3E)-3-(1-isoquinolinylimino)-3-(2-oxocyclohexyl)propanoate
Wiley ID 1333896