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2-(5-Chloranyl-3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoic acid
SpectraBase Compound ID EtMvkrR3PIx
InChI InChI=1S/C11H11ClN2O2S/c1-5-8(4-13)10(14-6(2)9(5)12)17-7(3)11(15)16/h7H,1-3H3,(H,15,16)
InChIKey WSTMMZAZOHLFLK-UHFFFAOYSA-N
Mol Weight 270.73 g/mol
Molecular Formula C11H11ClN2O2S
Exact Mass 270.022976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqD3X68931Y
Name 2-(5-Chloranyl-3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoic acid
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Formula C11H11ClN2O2S
InChI InChI=1S/C11H11ClN2O2S/c1-5-8(4-13)10(14-6(2)9(5)12)17-7(3)11(15)16/h7H,1-3H3,(H,15,16)
InChIKey WSTMMZAZOHLFLK-UHFFFAOYSA-N
Molecular Weight 270.734 g/mol
SMILES OC(C(Sc1c(c(C)c(c(n1)C)Cl)C#N)C)=O
SPLASH splash10-004i-6960000000-aafb1f8a7c32ee030301
Synonyms 2-(5-Chloro-3-cyano-4,6-dimethylpyridin-2-yl)sulfanylpropanoic acid 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)thio]propanoic acid 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]propanoic acid 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridyl)thio]propionic acid
Wiley ID 1511749