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Ethyl 4-(4-n-butyl-1-methylisoquinolin-3-yl)benzoate
SpectraBase Compound ID BVe9MRt61xj
InChI InChI=1S/C23H25NO2/c1-4-6-9-21-20-11-8-7-10-19(20)16(3)24-22(21)17-12-14-18(15-13-17)23(25)26-5-2/h7-8,10-15H,4-6,9H2,1-3H3
InChIKey DQUOSFRIUOQFQO-UHFFFAOYSA-N
Mol Weight 347.46 g/mol
Molecular Formula C23H25NO2
Exact Mass 347.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83cUTyPUMZ1
Name Ethyl 4-(4-n-butyl-1-methylisoquinolin-3-yl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25NO2
InChI InChI=1S/C23H25NO2/c1-4-6-9-21-20-11-8-7-10-19(20)16(3)24-22(21)17-12-14-18(15-13-17)23(25)26-5-2/h7-8,10-15H,4-6,9H2,1-3H3
InChIKey DQUOSFRIUOQFQO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo301768b
Molecular Weight 347.458 g/mol
SMILES c1cccc2c(CCCC)c(nc(c12)C)-c1ccc(cc1)C(OCC)=O
SPLASH splash10-014j-0059000000-c8bd1c9d29ed762d97f6
Source of Spectrum J-77-9196-3ao
Synonyms Ethyl 4-(4-butyl-1-methylisoquinolin-3-yl)benzoate 4-(4-butyl-1-methyl-3-isoquinolinyl)benzoic acid ethyl ester Ethyl 4-(4-butyl-1-methyl-3-isoquinolyl)benzoate Ethyl 4-(4-butyl-1-methyl-isoquinolin-3-yl)benzoate
Wiley ID 1747135