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Ethyl 2-[(4'-bromophenacyl)thio]-4(1H)-imino-5-pyrimidinecarboxylate
SpectraBase Compound ID 39w70UN1kOg
InChI InChI=1S/C15H14BrN3O3S/c1-2-22-14(21)11-7-18-15(19-13(11)17)23-8-12(20)9-3-5-10(16)6-4-9/h3-7H,2,8H2,1H3,(H2,17,18,19)
InChIKey QQKHOEDWSRZGOV-UHFFFAOYSA-N
Mol Weight 396.26 g/mol
Molecular Formula C15H14BrN3O3S
Exact Mass 394.993925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AyNk1NipEBY
Name ETHYL 2-[(4'-BROMOPHENACYL)THIO]-4(1H)-IMINO-5-PYRIMIDINECARBOXYLATE
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Formula C15H14BrN3O3S
InChI InChI=1S/C15H14BrN3O3S/c1-2-22-14(21)11-7-18-15(19-13(11)17)23-8-12(20)9-3-5-10(16)6-4-9/h3-7H,2,8H2,1H3,(H2,17,18,19)
InChIKey QQKHOEDWSRZGOV-UHFFFAOYSA-N
Molecular Weight 394.9936
SMILES N1C(=NC(=N)C(C(OCC)=O)=C1)SCC(c1ccc(Br)cc1)=O
SPLASH splash10-01qi-8921000000-df60e14c47d84ac6f704
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany