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Benzoic acid, 4-[2,5-diphenyl-3-[(6-quinolinylimino)methyl]-1H-pyrrol-1-yl]-, ethyl ester
SpectraBase Compound ID 3ttSvSwew7s
InChI InChI=1S/C35H27N3O2/c1-2-40-35(39)27-15-18-31(19-16-27)38-33(25-10-5-3-6-11-25)23-29(34(38)26-12-7-4-8-13-26)24-37-30-17-20-32-28(22-30)14-9-21-36-32/h3-24H,2H2,1H3/b37-24+
InChIKey DKQWCJYHQSLTFJ-HWLOXFRGSA-N
Mol Weight 521.6 g/mol
Molecular Formula C35H27N3O2
Exact Mass 521.210327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5eLD4cbftkH
Name Benzoic acid, 4-[2,5-diphenyl-3-[(6-quinolinylimino)methyl]-1H-pyrrol-1-yl]-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H27N3O2
InChI InChI=1S/C35H27N3O2/c1-2-40-35(39)27-15-18-31(19-16-27)38-33(25-10-5-3-6-11-25)23-29(34(38)26-12-7-4-8-13-26)24-37-30-17-20-32-28(22-30)14-9-21-36-32/h3-24H,2H2,1H3/b37-24+
InChIKey DKQWCJYHQSLTFJ-HWLOXFRGSA-N
Molecular Weight 521.620 g/mol
SMILES c1ccc(-c2[n](c(c(\C=N\c3cc4cccnc4cc3)c2)-c2ccccc2)-c2ccc(C(=O)OCC)cc2)cc1
SPLASH splash10-00di-4952170000-2f7e70ab57c609a1a691
Source of Spectrum IY-1-4612-2
Wiley ID 1654105