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2-[2-[2-methoxy-4-[(Z)-[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]ethylthio]acetic acid ethyl ester
SpectraBase Compound ID 7xlaBdrIj5n
InChI InChI=1S/C25H26N2O7S/c1-4-33-22(28)15-35-11-10-34-20-9-8-17(14-21(20)32-3)13-19-23(29)26-25(31)27(24(19)30)18-7-5-6-16(2)12-18/h5-9,12-14H,4,10-11,15H2,1-3H3,(H,26,29,31)/b19-13-
InChIKey MZWWQTDGCXIAML-UYRXBGFRSA-N
Mol Weight 498.55 g/mol
Molecular Formula C25H26N2O7S
Exact Mass 498.146072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDT5BaaEYr0
Name 2-[2-[2-methoxy-4-[(Z)-[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]ethylthio]acetic acid ethyl ester
Alternate Name(s) 2-[2-[2-methoxy-4-[(Z)-[2,4,6-triketo-1-(m-tolyl)hexahydropyrimidin-5-ylidene]methyl]phenoxy]ethylthio]acetic acid ethyl ester Ethyl 2-[2-[2-methoxy-4-[(Z)-[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]ethylsulfanyl]acetate Ethyl 2-[2-[2-methoxy-4-[(Z)-[1-(3-methylphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenoxy]ethylsulfanyl]ethanoate Ethyl 2-[2-[2-methoxy-4-[(Z)-[1-(m-tolyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]phenoxy]ethylsulfanyl]acetate
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Formula C25H26N2O7S
InChI InChI=1S/C25H26N2O7S/c1-4-33-22(28)15-35-11-10-34-20-9-8-17(14-21(20)32-3)13-19-23(29)26-25(31)27(24(19)30)18-7-5-6-16(2)12-18/h5-9,12-14H,4,10-11,15H2,1-3H3,(H,26,29,31)/b19-13-
InChIKey MZWWQTDGCXIAML-UYRXBGFRSA-N
Molecular Weight 498.550 g/mol
SMILES N1C(\C(C(N(C1=O)c1cc(C)ccc1)=O)=C/c1cc(OC)c(cc1)OCCSCC(=O)OCC)=O
SPLASH splash10-0005-9700000000-72f4fcbf072850f6f44d
Wiley ID 1448214