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2-(1,1-Diethoxycarbonylmethylene)thio-6-phenyl-1,3-dihydro-pyrimidin-4(1H)-one
SpectraBase Compound ID 5wFtPzkFUlC
InChI InChI=1S/C17H18N2O5S/c1-3-23-15(21)14(16(22)24-4-2)25-17-18-12(10-13(20)19-17)11-8-6-5-7-9-11/h5-10,14H,3-4H2,1-2H3,(H,18,19,20)
InChIKey FNOMCXBNMSHBDY-UHFFFAOYSA-N
Mol Weight 362.4 g/mol
Molecular Formula C17H18N2O5S
Exact Mass 362.093643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xOnJ8bwWW
Name 2-(1,1-Diethoxycarbonylmethylene)thio-6-phenyl-1,3-dihydro-pyrimidin-4(1H)-one
Appearance White needles
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Formula C17H18N2O5S
InChI InChI=1S/C17H18N2O5S/c1-3-23-15(21)14(16(22)24-4-2)25-17-18-12(10-13(20)19-17)11-8-6-5-7-9-11/h5-10,14H,3-4H2,1-2H3,(H,18,19,20)
InChIKey FNOMCXBNMSHBDY-UHFFFAOYSA-N
Instrument Name MX-1321
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2525
Molecular Weight 362.400 g/mol
SMILES N1C(=NC(=CC1=O)c1ccccc1)SC(C(=O)OCC)C(=O)OCC
SPLASH splash10-0gb9-0962000000-f75b4260e59bd8125127
Source of Spectrum Y-53-2034-5
Wiley ID 1876753