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1-[4-(4-Bromophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]ethanone
SpectraBase Compound ID AJUsT2apPXU
InChI InChI=1S/C13H13BrN2OS/c1-7-11(8(2)17)12(16-13(18)15-7)9-3-5-10(14)6-4-9/h3-6,12H,1-2H3,(H2,15,16,18)
InChIKey LHKBFVBCKFOSTM-UHFFFAOYSA-N
Mol Weight 325.22 g/mol
Molecular Formula C13H13BrN2OS
Exact Mass 323.993197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9B34r4FbBl5
Name 1-[4-(4-Bromophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]ethanone
CAS Registry Number 123629-44-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13BrN2OS
InChI InChI=1S/C13H13BrN2OS/c1-7-11(8(2)17)12(16-13(18)15-7)9-3-5-10(14)6-4-9/h3-6,12H,1-2H3,(H2,15,16,18)
InChIKey LHKBFVBCKFOSTM-UHFFFAOYSA-N
Molecular Weight 325.224 g/mol
SMILES N1C(NC(C(=C1C)C(=O)C)c1ccc(cc1)Br)=S
SPLASH splash10-0096-9525000000-efec5c93528025084bbe
Source of Spectrum AD-0-2532-0
Synonyms 1-[4-(4-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone 1-[4-(4-bromophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl-
Wiley ID 1426039