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4,4'-[6-Chloro-1,3,5-triazine-2,4-diyl)diimino]dibenzoic acid
SpectraBase Compound ID CEKhsblb2NU
InChI InChI=1S/C17H12ClN5O4/c18-15-21-16(19-11-5-1-9(2-6-11)13(24)25)23-17(22-15)20-12-7-3-10(4-8-12)14(26)27/h1-8H,(H,24,25)(H,26,27)(H2,19,20,21,22,23)
InChIKey YKEUMKVSAHEXGQ-UHFFFAOYSA-N
Mol Weight 385.77 g/mol
Molecular Formula C17H12ClN5O4
Exact Mass 385.057782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1WPKzy1UeF7
Name 4,4'-[6-Chloro-1,3,5-triazine-2,4-diyl)diimino]dibenzoic acid
Alternate Name(s) 4-[[4-(4-carboxyanilino)-6-chloro-1,3,5-triazin-2-yl]amino]benzoic acid 4-[[4-[(4-carboxyphenyl)amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]benzoic acid
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Formula C17H12ClN5O4
InChI InChI=1S/C17H12ClN5O4/c18-15-21-16(19-11-5-1-9(2-6-11)13(24)25)23-17(22-15)20-12-7-3-10(4-8-12)14(26)27/h1-8H,(H,24,25)(H,26,27)(H2,19,20,21,22,23)
InChIKey YKEUMKVSAHEXGQ-UHFFFAOYSA-N
Molecular Weight 385.767 g/mol
SMILES N(c1nc(nc(n1)Cl)Nc1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1
SPLASH splash10-0006-0009000000-d8c6705a56c3cd56b942
Source of Spectrum Y-45-538-2g
Wiley ID 1666054