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2-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzoic acid methyl ester
SpectraBase Compound ID G2hwplZQ8r
InChI InChI=1S/C15H18N2O2S/c1-10-9-15(2,3)16-14(20)17(10)12-8-6-5-7-11(12)13(18)19-4/h5-9H,1-4H3,(H,16,20)
InChIKey SYSHOEHASGQOLJ-UHFFFAOYSA-N
Mol Weight 290.38 g/mol
Molecular Formula C15H18N2O2S
Exact Mass 290.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K7bjEDfLeAw
Name 2-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzoic acid methyl ester
Alternate Name(s) 2-(4,6,6-trimethyl-2-thioxo-1H-pyrimidin-3-yl)benzoic acid methyl ester Methyl 2-(4,4,6-trimethyl-2-thioxo-3,4-dihydro-1(2H)-pyrimidinyl)benzoate Methyl 2-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzoate Methyl 2-(4,6,6-trimethyl-2-thioxo-1H-pyrimidin-3-yl)benzoate
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Formula C15H18N2O2S
InChI InChI=1S/C15H18N2O2S/c1-10-9-15(2,3)16-14(20)17(10)12-8-6-5-7-11(12)13(18)19-4/h5-9H,1-4H3,(H,16,20)
InChIKey SYSHOEHASGQOLJ-UHFFFAOYSA-N
Molecular Weight 290.381 g/mol
SMILES N1C(C=C(N(C1=S)c1c(C(=O)OC)cccc1)C)(C)C
SPLASH splash10-005c-6690000000-5f65a5f343df7697a476
Wiley ID 1437144