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1-(4-methylanilino)-11H-pyrido[3,4-a]carbazole-3-carboxylic acid ethyl ester
SpectraBase Compound ID J99ccFJ7v8F
InChI InChI=1S/C25H21N3O2/c1-3-30-25(29)21-14-16-10-13-19-18-6-4-5-7-20(18)27-23(19)22(16)24(28-21)26-17-11-8-15(2)9-12-17/h4-14,27H,3H2,1-2H3,(H,26,28)
InChIKey RFWZCUNEDZTHJX-UHFFFAOYSA-N
Mol Weight 395.46 g/mol
Molecular Formula C25H21N3O2
Exact Mass 395.163377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cz9ZnviYwY7
Name 1-(4-methylanilino)-11H-pyrido[3,4-a]carbazole-3-carboxylic acid ethyl ester
Alternate Name(s) 1-(p-toluidino)-11H-pyrido[3,4-a]carbazole-3-carboxylic acid ethyl ester ethyl 1-(4-methylanilino)-11H-pyrido[3,4-a]carbazole-3-carboxylate ethyl 1-[(4-methylphenyl)amino]-11H-pyrido[3,4-a]carbazole-3-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C25H21N3O2
InChI InChI=1S/C25H21N3O2/c1-3-30-25(29)21-14-16-10-13-19-18-6-4-5-7-20(18)27-23(19)22(16)24(28-21)26-17-11-8-15(2)9-12-17/h4-14,27H,3H2,1-2H3,(H,26,28)
InChIKey RFWZCUNEDZTHJX-UHFFFAOYSA-N
Molecular Weight 395.462 g/mol
SMILES [nH]1c2ccccc2c2c1c1c(nc(cc1cc2)C(=O)OCC)Nc1ccc(cc1)C
SPLASH splash10-0002-0901000000-748f8d1e4d6b412d6131
Source of Spectrum F-49-1235-19
Wiley ID 1367143