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3-Isoquinolinecarboxylic acid, 6,7-dimethoxy-1-[(4-methylphenyl)amino]-, ethyl ester
SpectraBase Compound ID KQaDuAaeKDW
InChI InChI=1S/C21H22N2O4/c1-5-27-21(24)17-10-14-11-18(25-3)19(26-4)12-16(14)20(23-17)22-15-8-6-13(2)7-9-15/h6-12H,5H2,1-4H3,(H,22,23)
InChIKey ILNXBFZJEIPXMJ-UHFFFAOYSA-N
Mol Weight 366.42 g/mol
Molecular Formula C21H22N2O4
Exact Mass 366.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jl2dIifuKA1
Name 3-Isoquinolinecarboxylic acid, 6,7-dimethoxy-1-[(4-methylphenyl)amino]-, ethyl ester
Alternate Name(s) Ethyl 6,7-dimethoxy-1-(4-toluidino)-3-isoquinolinecarboxylate Ethyl 6,7-dimethoxy-1-(4-tolylamino)isoquinoline-3-carboxylate
CAS Registry Number 129801-36-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O4
InChI InChI=1S/C21H22N2O4/c1-5-27-21(24)17-10-14-11-18(25-3)19(26-4)12-16(14)20(23-17)22-15-8-6-13(2)7-9-15/h6-12H,5H2,1-4H3,(H,22,23)
InChIKey ILNXBFZJEIPXMJ-UHFFFAOYSA-N
Molecular Weight 366.417 g/mol
SMILES N(c1nc(C(=O)OCC)cc2c1cc(c(OC)c2)OC)c1ccc(cc1)C
SPLASH splash10-014l-2539000000-be31c9bf1af85d82ff1c
Source of Spectrum KC-1990-1730-10
Wiley ID 1352031