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1-(5-Chloro-2-pyridyl)-3-(2,2,2-trichloro-1-isovaleramidoethyl)-2-thiourea
SpectraBase Compound ID 3krMN5bf7wg
InChI InChI=1S/C13H16Cl4N4OS/c1-7(2)5-10(22)20-11(13(15,16)17)21-12(23)19-9-4-3-8(14)6-18-9/h3-4,6-7,11H,5H2,1-2H3,(H,20,22)(H2,18,19,21,23)
InChIKey FHJARNONRYVTPN-UHFFFAOYSA-N
Mol Weight 418.2 g/mol
Molecular Formula C13H16Cl4N4OS
Exact Mass 415.979893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHn9yXyOXvw
Name 1-(5-CHLORO-2-PYRIDYL)-3-(2,2,2-TRICHLORO-1-ISOVALERAMIDOETHYL)-2-
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Formula C13H16Cl4N4OS
InChI InChI=1S/C13H16Cl4N4OS/c1-7(2)5-10(22)20-11(13(15,16)17)21-12(23)19-9-4-3-8(14)6-18-9/h3-4,6-7,11H,5H2,1-2H3,(H,20,22)(H2,18,19,21,23)
InChIKey FHJARNONRYVTPN-UHFFFAOYSA-N
Molecular Weight 415.9798
SMILES N(C(=S)NC(NC(CC(C)C)=O)C(Cl)(Cl)Cl)c1ncc(Cl)cc1
SPLASH splash10-06rf-9510000000-71bfbd4b9bacc7dab749
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany