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5H-Pyrido[4,3-b]indole-3-carboxylic acid, 5-methyl-1-[(4-methylphenyl)amino]-, ethyl ester
SpectraBase Compound ID 7kQSwaoGgwh
InChI InChI=1S/C22H21N3O2/c1-4-27-22(26)17-13-19-20(16-7-5-6-8-18(16)25(19)3)21(24-17)23-15-11-9-14(2)10-12-15/h5-13H,4H2,1-3H3,(H,23,24)
InChIKey GAJPEOBIXZZBQZ-UHFFFAOYSA-N
Mol Weight 359.43 g/mol
Molecular Formula C22H21N3O2
Exact Mass 359.163377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gjmZpYaO70
Name 5H-Pyrido[4,3-b]indole-3-carboxylic acid, 5-methyl-1-[(4-methylphenyl)amino]-, ethyl ester
Alternate Name(s) 3-Ethoxycarbonyl-5-methyl-1-(p-tolylamino)pyrido[4,3-b]indole Ethyl 5-methyl-1-(4-toluidino)-5H-pyrido[4,3-b]indole-3-carboxylate
CAS Registry Number 116885-00-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N3O2
InChI InChI=1S/C22H21N3O2/c1-4-27-22(26)17-13-19-20(16-7-5-6-8-18(16)25(19)3)21(24-17)23-15-11-9-14(2)10-12-15/h5-13H,4H2,1-3H3,(H,23,24)
InChIKey GAJPEOBIXZZBQZ-UHFFFAOYSA-N
Molecular Weight 359.429 g/mol
SMILES N(c1c2c([n](C)c3c2cccc3)cc(n1)C(=O)OCC)c1ccc(cc1)C
SPLASH splash10-052r-1297000000-400d07e145eb85a78112
Source of Spectrum KC-1988-1821-12
Wiley ID 1347858