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2-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenyl 4-methylbenzenesulfonate
SpectraBase Compound ID 2yQRoxDy9yd
InChI InChI=1S/C18H14N2O6S/c1-11-6-8-13(9-7-11)27(24,25)26-15-5-3-2-4-12(15)10-14-16(21)19-18(23)20-17(14)22/h2-10H,1H3,(H2,19,20,21,22,23)
InChIKey NWPHSLFBUCMZSR-UHFFFAOYSA-N
Mol Weight 386.38 g/mol
Molecular Formula C18H14N2O6S
Exact Mass 386.057257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7yUkuqmVJBn
Name 2-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenyl 4-methylbenzenesulfonate
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Formula C18H14N2O6S
InChI InChI=1S/C18H14N2O6S/c1-11-6-8-13(9-7-11)27(24,25)26-15-5-3-2-4-12(15)10-14-16(21)19-18(23)20-17(14)22/h2-10H,1H3,(H2,19,20,21,22,23)
InChIKey NWPHSLFBUCMZSR-UHFFFAOYSA-N
Molecular Weight 386.378 g/mol
SMILES N1C(NC(C(C1=O)=Cc1c(OS(c2ccc(cc2)C)(=O)=O)cccc1)=O)=O
SPLASH splash10-014l-9230000000-fc867a747dcc34e3a940
Synonyms 4-Methylbenzenesulfonic acid[2-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methyl]phenyl]ester 4-Methylbenzenesulfonic acid[2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl]ester Toluene-4-sulfonic acid 2-(2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-phenyl ester [2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl]4-methylbenzenesulfonate [2-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]phenyl]4-methylbenzenesulfonate [2-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenyl]4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] ester [2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate [2-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate [2-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenyl] 4-methylbenzenesulfonate
Wiley ID 1453023