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1-(o-chlorobenzoyl)-3-thio-4-(2,6-xylyl)semicarbazide

View entire compound with spectra: 1 NMR, 1 FTIR, 1 UV-Vis, and 1 MS (GC)

1-(o-chlorobenzoyl)-3-thio-4-(2,6-xylyl)semicarbazide
SpectraBase Compound ID Cgk0ZPXe3wN
InChI InChI=1S/C16H16ClN3OS/c1-10-6-5-7-11(2)14(10)18-16(22)20-19-15(21)12-8-3-4-9-13(12)17/h3-9H,1-2H3,(H,19,21)(H2,18,20,22)
InChIKey CTYRBIZZYHRAPZ-UHFFFAOYSA-N
Mol Weight 333.84 g/mol
Molecular Formula C16H16ClN3OS
Exact Mass 333.070261 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cTk7905HU
Name 2-(2-Chlorobenzoyl)-N-(2,6-dimethylphenyl)hydrazinecarbothioamide
Alternate Name(s) 1-[[(2-chlorophenyl)-oxomethyl]amino]-3-(2,6-dimethylphenyl)thiourea 1-[(2-chlorophenyl)carbonylamino]-3-(2,6-dimethylphenyl)thiourea
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Formula C16H16ClN3OS
InChI InChI=1S/C16H16ClN3OS/c1-10-6-5-7-11(2)14(10)18-16(22)20-19-15(21)12-8-3-4-9-13(12)17/h3-9H,1-2H3,(H,19,21)(H2,18,20,22)
InChIKey CTYRBIZZYHRAPZ-UHFFFAOYSA-N
Molecular Weight 333.837 g/mol
SMILES N(C(c1c(Cl)cccc1)=O)NC(Nc1c(cccc1C)C)=S
SPLASH splash10-03el-1930000000-26e01ff1c894cda39af2
Source of Spectrum F2-45-5202-7b
Wiley ID 1703714