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2-(4-METHOXYPHENYL)-AMINO]-5-(ETHOXYCARBONYL)-7-METHYL-3,3-DIPHENYLBENZO-[DE]-[1,6]-NAPHTHYRIDINE
SpectraBase Compound ID ANn2SwfhmRk
InChI InChI=1S/C34H29N3O3/c1-4-40-32(38)29-21-27-22(2)15-20-28-30(27)31(36-29)34(23-11-7-5-8-12-23,24-13-9-6-10-14-24)33(37-28)35-25-16-18-26(39-3)19-17-25/h5-21H,4H2,1-3H3,(H,35,37)
InChIKey ZKLQESNKTYRELB-UHFFFAOYSA-N
Mol Weight 527.6 g/mol
Molecular Formula C34H29N3O3
Exact Mass 527.220892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9moyiHQQ8OC
Name 2-(4-Methoxy-phenylamino)-7-methyl-3,3-diphenyl-3H-benzo[de][1,6]naphthyridine-5-carboxylic acid ethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C34H29N3O3
InChI InChI=1S/C34H29N3O3/c1-4-40-32(38)29-21-27-22(2)15-20-28-30(27)31(36-29)34(23-11-7-5-8-12-23,24-13-9-6-10-14-24)33(37-28)35-25-16-18-26(39-3)19-17-25/h5-21H,4H2,1-3H3,(H,35,37)
InChIKey ZKLQESNKTYRELB-UHFFFAOYSA-N
Molecular Weight 527.624 g/mol
SMILES N(C=1C(c2c3c(ccc(c3cc(n2)C(=O)OCC)C)N1)(c1ccccc1)c1ccccc1)c1ccc(cc1)OC
SPLASH splash10-004i-3000090000-0d824048c16f98a0f642
Source of Spectrum J-57-6709-10d
Wiley ID 1402978