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Ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
SpectraBase Compound ID A2SubWv9FtE
InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)
InChIKey LOBCDGHHHHGHFA-UHFFFAOYSA-N
Mol Weight 292.35 g/mol
Molecular Formula C14H16N2O3S
Exact Mass 292.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GCbWgLWE4KI
Name Ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Appearance Yellow solid
Carrier Gas Helium (0.95 mL/min)
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Exact Mass 292.088163554 u
Formula C14H16N2O3S
GC Column DB-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)
InChIKey LOBCDGHHHHGHFA-UHFFFAOYSA-N
Inlet Type Split
Instrument Name Shimadzu GC-MS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200331
Molecular Weight 292.353 g/mol
Quality 976
SMILES N1C(NC(=C(C1C1=CC=CC(=C1)O)C(OCC)=O)C)=S
SPLASH splash10-0005-1790000000-c7d1c0c4896e2c1d124c
Source of Spectrum K1-2022-SM14-4d (DOI: 10.1002/ejoc.202200331)
Wiley ID 1906077