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3-ETHYL-2-[(4-CHLOROPHENYL)-AMINO]-5-(ETHOXYCARBONYL)-7-METHYL-3-PHENYL-BENZO-[DE]-[1,6]-NAPHTHYRIDINE
SpectraBase Compound ID HxEGse2IAZK
InChI InChI=1S/C29H26ClN3O2/c1-4-29(19-9-7-6-8-10-19)26-25-22(17-24(32-26)27(34)35-5-2)18(3)11-16-23(25)33-28(29)31-21-14-12-20(30)13-15-21/h6-17H,4-5H2,1-3H3,(H,31,33)
InChIKey NCQNUFJZGQGTPR-UHFFFAOYSA-N
Mol Weight 484.0 g/mol
Molecular Formula C29H26ClN3O2
Exact Mass 483.171355 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WPvQauMT76
Name 2-[(4-Chlorophenyl)amino]-3-ethyl-5-(ethoxycarbonyl)-7-methyl-3-phenylbenzo[de][1,6]naphthyridine
Alternate Name(s) ethyl 2-(4-chloroanilino)-3-ethyl-7-methyl-3-phenyl-3H-benzo[de][1,6]naphthyridine-5-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C29H26ClN3O2
InChI InChI=1S/C29H26ClN3O2/c1-4-29(19-9-7-6-8-10-19)26-25-22(17-24(32-26)27(34)35-5-2)18(3)11-16-23(25)33-28(29)31-21-14-12-20(30)13-15-21/h6-17H,4-5H2,1-3H3,(H,31,33)
InChIKey NCQNUFJZGQGTPR-UHFFFAOYSA-N
Molecular Weight 483.999 g/mol
SMILES N(C=1C(c2c3c(ccc(c3cc(n2)C(=O)OCC)C)N1)(c1ccccc1)CC)c1ccc(cc1)Cl
SPLASH splash10-00di-0900300000-220ed731f88190ae760d
Source of Spectrum J-57-6709-10
Wiley ID 1395863