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2-(2,4-dinitrophenyl)sulfanyl-6-methyl-1H-pyrimidin-4-one
SpectraBase Compound ID 8SMr5th03RM
InChI InChI=1S/C11H8N4O5S/c1-6-4-10(16)13-11(12-6)21-9-3-2-7(14(17)18)5-8(9)15(19)20/h2-5H,1H3,(H,12,13,16)
InChIKey MQRSKNRMJCUQTI-UHFFFAOYSA-N
Mol Weight 308.27 g/mol
Molecular Formula C11H8N4O5S
Exact Mass 308.021541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JlspaC8RiYe
Name 2-(2,4-dinitrophenyl)sulfanyl-6-methyl-1H-pyrimidin-4-one
Alternate Name(s) 2-[(2,4-dinitrophenyl)thio]-6-methyl-1H-pyrimidin-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C11H8N4O5S
InChI InChI=1S/C11H8N4O5S/c1-6-4-10(16)13-11(12-6)21-9-3-2-7(14(17)18)5-8(9)15(19)20/h2-5H,1H3,(H,12,13,16)
InChIKey MQRSKNRMJCUQTI-UHFFFAOYSA-N
Molecular Weight 308.268 g/mol
SMILES N1C(=CC(N=C1Sc1c(cc(cc1)N(=O)=O)N(=O)=O)=O)C
SPLASH splash10-03di-0090000000-b13527cb992857470885
Source of Spectrum Y1-37-908-23
Wiley ID 1527473