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4-(4-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester

View entire compound with spectra: 2 MS (GC)

4-(4-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester
SpectraBase Compound ID BUbxcLHLwLE
InChI InChI=1S/C13H13BrN2O2S/c1-7-10(12(17)18-2)11(16-13(19)15-7)8-3-5-9(14)6-4-8/h3-6,11H,1-2H3,(H2,15,16,19)
InChIKey KJIACMLHHPJDES-UHFFFAOYSA-N
Mol Weight 341.22 g/mol
Molecular Formula C13H13BrN2O2S
Exact Mass 339.988112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNpD63yaJaZ
Name Methyl 4-(4'-bromophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13BrN2O2S
InChI InChI=1S/C13H13BrN2O2S/c1-7-10(12(17)18-2)11(16-13(19)15-7)8-3-5-9(14)6-4-8/h3-6,11H,1-2H3,(H2,15,16,19)
InChIKey KJIACMLHHPJDES-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.201190016
Molecular Weight 341.223 g/mol
SMILES N1C(C(=C(NC1=S)C)C(=O)OC)c1ccc(cc1)Br
SPLASH splash10-000i-4922000000-954707c4cd767519961c
Source of Spectrum QA-58-525-18
Synonyms Methyl 4-(4-bromophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Wiley ID 1796558