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Acetamide, N-[4-[2-(2-pyrimidinylthio)acetyl]phenyl]-
SpectraBase Compound ID HzRwjBJdVVG
InChI InChI=1S/C14H13N3O2S/c1-10(18)17-12-5-3-11(4-6-12)13(19)9-20-14-15-7-2-8-16-14/h2-8H,9H2,1H3,(H,17,18)
InChIKey YXBNKWUAXIUDGW-UHFFFAOYSA-N
Mol Weight 287.34 g/mol
Molecular Formula C14H13N3O2S
Exact Mass 287.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BERMyh8A3rn
Name Acetamide, N-[4-[2-(2-pyrimidinylthio)acetyl]phenyl]-
Alternate Name(s) N-[4-[1-oxo-2-(2-pyrimidinylthio)ethyl]phenyl]acetamide N-[4-(2-pyrimidin-2-ylsulfanylacetyl)phenyl]acetamide N-[4-(2-pyrimidin-2-ylsulfanylethanoyl)phenyl]ethanamide
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Formula C14H13N3O2S
InChI InChI=1S/C14H13N3O2S/c1-10(18)17-12-5-3-11(4-6-12)13(19)9-20-14-15-7-2-8-16-14/h2-8H,9H2,1H3,(H,17,18)
InChIKey YXBNKWUAXIUDGW-UHFFFAOYSA-N
Molecular Weight 287.337 g/mol
SMILES N(C(=O)C)c1ccc(C(CSc2ncccn2)=O)cc1
SPLASH splash10-01vo-9600000000-a1dbf57d7abafc2814f3
Source of Spectrum IY-1-4313-8
Wiley ID 1651121