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1-(2,2,2-Trichloro-1-isobutyramidoethyl)-3-(4-methoxyphenyl)-thiourea
SpectraBase Compound ID LALcPMYIlTe
InChI InChI=1S/C14H18Cl3N3O2S/c1-8(2)11(21)19-12(14(15,16)17)20-13(23)18-9-4-6-10(22-3)7-5-9/h4-8,12H,1-3H3,(H,19,21)(H2,18,20,23)
InChIKey RVUBNHTYDSGFEJ-UHFFFAOYSA-N
Mol Weight 398.74 g/mol
Molecular Formula C14H18Cl3N3O2S
Exact Mass 397.018531 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dlp2yK2rEuc
Name 1-(2,2,2-TRICHLORO-1-ISOBUTYRAMIDOETHYL)-3-(4-METHOXYPHENYL)-2-THIOUREA
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Formula C14H18Cl3N3O2S
InChI InChI=1S/C14H18Cl3N3O2S/c1-8(2)11(21)19-12(14(15,16)17)20-13(23)18-9-4-6-10(22-3)7-5-9/h4-8,12H,1-3H3,(H,19,21)(H2,18,20,23)
InChIKey RVUBNHTYDSGFEJ-UHFFFAOYSA-N
Molecular Weight 397.0183
SMILES N(C(=S)NC(NC(C(C)C)=O)C(Cl)(Cl)Cl)c1ccc(OC)cc1
SPLASH splash10-0006-9400000000-b7535ec95323efab3939
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany