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(dimethoxyphosphoryl)(p-tolyl)methyl 2-chloro-6-((4,6-dimethoxypyrimidin-2-yl)thio)benzoate
SpectraBase Compound ID Eka25CUp019
InChI InChI=1S/C23H24ClN2O7PS/c1-14-9-11-15(12-10-14)22(34(28,31-4)32-5)33-21(27)20-16(24)7-6-8-17(20)35-23-25-18(29-2)13-19(26-23)30-3/h6-13,22H,1-5H3
InChIKey QUGLTPDYRKPCSQ-UHFFFAOYSA-N
Mol Weight 538.94 g/mol
Molecular Formula C23H24ClN2O7PS
Exact Mass 538.073037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmaJSLMBqpQ
Name (dimethoxyphosphoryl)(p-tolyl)methyl 2-chloro-6-((4,6-dimethoxypyrimidin-2-yl)thio)benzoate
Appearance Yellow oil
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Formula C23H24ClN2O7PS
InChI InChI=1S/C23H24ClN2O7PS/c1-14-9-11-15(12-10-14)22(34(28,31-4)32-5)33-21(27)20-16(24)7-6-8-17(20)35-23-25-18(29-2)13-19(26-23)30-3/h6-13,22H,1-5H3
InChIKey QUGLTPDYRKPCSQ-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 538.939 g/mol
Optical Rotation [a]D20 = 1.5572
SMILES c1(nc(nc(c1)OC)Sc1c(c(ccc1)Cl)C(OC(P(OC)(OC)=O)c1ccc(cc1)C)=O)OC
SPLASH splash10-001i-0090000000-a62e73b9ad64bc83c814
Source of Spectrum CN105693771A
Wiley ID 1852841