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Dimethyl 2-[1-Acetoxy-1-(phenylthio)methyl]pyrimidine-4,5-dicarboxylate
SpectraBase Compound ID 8H5jxUM4zkI
InChI InChI=1S/C17H16N2O6S/c1-10(20)25-17(26-11-7-5-4-6-8-11)14-18-9-12(15(21)23-2)13(19-14)16(22)24-3/h4-9,17H,1-3H3
InChIKey WEQVGIJJGOWZIT-UHFFFAOYSA-N
Mol Weight 376.38 g/mol
Molecular Formula C17H16N2O6S
Exact Mass 376.072907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QysiHdfTWY
Name Dimethyl 2-[1-Acetoxy-1-(phenylthio)methyl]pyrimidine-4,5-dicarboxylate
Alternate Name(s) Dimethyl 2-[(acetyloxy)(phenylsulfanyl)methyl]-4,5-pyrimidinedicarboxylate
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Formula C17H16N2O6S
InChI InChI=1S/C17H16N2O6S/c1-10(20)25-17(26-11-7-5-4-6-8-11)14-18-9-12(15(21)23-2)13(19-14)16(22)24-3/h4-9,17H,1-3H3
InChIKey WEQVGIJJGOWZIT-UHFFFAOYSA-N
Molecular Weight 376.383 g/mol
SMILES c1(nc(ncc1C(=O)OC)C(OC(=O)C)Sc1ccccc1)C(=O)OC
SPLASH splash10-004i-0491000000-5842c612af75a6778834
Source of Spectrum J-61-2483-50
Wiley ID 1357509