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2-[2,6-bis(chloranyl)-4-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenoxy]ethanoic acid
SpectraBase Compound ID 8F19ZobJAU0
InChI InChI=1S/C21H16Cl2N2O6/c1-10-3-4-13(5-11(10)2)25-20(29)14(19(28)24-21(25)30)6-12-7-15(22)18(16(23)8-12)31-9-17(26)27/h3-8H,9H2,1-2H3,(H,26,27)(H,24,28,30)/b14-6+
InChIKey BACZCNCDNDBXHP-MKMNVTDBSA-N
Mol Weight 463.27 g/mol
Molecular Formula C21H16Cl2N2O6
Exact Mass 462.038542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQvU1CbsUfb
Name 2-[2,6-bis(chloranyl)-4-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenoxy]ethanoic acid
Alternate Name(s) 2-[2,6-dichloro-4-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]phenoxy]acetic acid 2-[2,6-dichloro-4-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid 2-[2,6-dichloro-4-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]phenoxy]acetic acid
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Formula C21H16Cl2N2O6
InChI InChI=1S/C21H16Cl2N2O6/c1-10-3-4-13(5-11(10)2)25-20(29)14(19(28)24-21(25)30)6-12-7-15(22)18(16(23)8-12)31-9-17(26)27/h3-8H,9H2,1-2H3,(H,26,27)(H,24,28,30)/b14-6+
InChIKey BACZCNCDNDBXHP-MKMNVTDBSA-N
Molecular Weight 463.273 g/mol
SMILES OC(COc1c(cc(\C=C\2C(N(C(NC2=O)=O)c2cc(C)c(cc2)C)=O)cc1Cl)Cl)=O
SPLASH splash10-0002-4900100000-9df5892a342896b0cd17
Wiley ID 1444912