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N-(4-chlorophenyl)-N'-{2-[2-nitro-4-(trifluoromethyl)anilino]ethyl}thiourea
SpectraBase Compound ID AKkWf6W5xIi
InChI InChI=1S/C16H14ClF3N4O2S/c17-11-2-4-12(5-3-11)23-15(27)22-8-7-21-13-6-1-10(16(18,19)20)9-14(13)24(25)26/h1-6,9,21H,7-8H2,(H2,22,23,27)
InChIKey GEAZKGMRRIJGPK-UHFFFAOYSA-N
Mol Weight 418.82 g/mol
Molecular Formula C16H14ClF3N4O2S
Exact Mass 418.047809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INMmuGTGq9D
Name 1-(4-Chlorophenyl)-3-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]thiourea
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Formula C16H14ClF3N4O2S
InChI InChI=1S/C16H14ClF3N4O2S/c17-11-2-4-12(5-3-11)23-15(27)22-8-7-21-13-6-1-10(16(18,19)20)9-14(13)24(25)26/h1-6,9,21H,7-8H2,(H2,22,23,27)
InChIKey GEAZKGMRRIJGPK-UHFFFAOYSA-N
Molecular Weight 418.822 g/mol
SMILES N(C(Nc1ccc(cc1)Cl)=S)CCNc1c(N(=O)=O)cc(C(F)(F)F)cc1
SPLASH splash10-00vi-5910000000-b5441bd850f9bfacbff6
Wiley ID 1448163