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3-[[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]-3-(4-methylphenyl)propanoic acid ethyl ester
SpectraBase Compound ID 10CMI1Zbf5R
InChI InChI=1S/C29H26F6N6O2/c1-3-43-24(42)16-23(18-12-10-17(2)11-13-18)38-27-40-25(36-21-8-4-6-19(14-21)28(30,31)32)39-26(41-27)37-22-9-5-7-20(15-22)29(33,34)35/h4-15,23H,3,16H2,1-2H3,(H3,36,37,38,39,40,41)
InChIKey ISVUUOARHIHRGQ-UHFFFAOYSA-N
Mol Weight 604.56 g/mol
Molecular Formula C29H26F6N6O2
Exact Mass 604.202143 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37agOYZGWXP
Name 3-[[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]-3-(4-methylphenyl)propanoic acid ethyl ester
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Formula C29H26F6N6O2
InChI InChI=1S/C29H26F6N6O2/c1-3-43-24(42)16-23(18-12-10-17(2)11-13-18)38-27-40-25(36-21-8-4-6-19(14-21)28(30,31)32)39-26(41-27)37-22-9-5-7-20(15-22)29(33,34)35/h4-15,23H,3,16H2,1-2H3,(H3,36,37,38,39,40,41)
InChIKey ISVUUOARHIHRGQ-UHFFFAOYSA-N
Molecular Weight 604.557 g/mol
SMILES N(c1nc(nc(n1)Nc1cc(ccc1)C(F)(F)F)Nc1cc(ccc1)C(F)(F)F)C(CC(=O)OCC)c1ccc(cc1)C
SPLASH splash10-014j-4910000000-d4f35b1088dacea2edc1
Synonyms 3-[[4,6-bis[3-(trifluoromethyl)anilino]-s-triazin-2-yl]amino]-3-(p-tolyl)propionic acid ethyl ester Ethyl 3-[[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]-3-(4-methylphenyl)propanoate Ethyl 3-[[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]-3-(p-tolyl)propanoate Ethyl 3-[[4,6-bis[[3-(trifluoromethyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-3-(4-methylphenyl)propanoate
Wiley ID 1445214