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2-(3-Chlorobenzoyl)-N-(2,6-dimethylphenyl)hydrazinecarbothioamide

View entire compound with spectra: 1 NMR, and 2 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9s1gRxxNw2k
Name 2-(3-Chlorobenzoyl)-N-(2,6-dimethylphenyl)hydrazinecarbothioamide
Comments Computed using HOSE algorithm
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Exact Mass 333.070261020 u
Formula C16H16ClN3OS
InChI InChI=1S/C16H16ClN3OS/c1-10-5-3-6-11(2)14(10)18-16(22)20-19-15(21)12-7-4-8-13(17)9-12/h3-9H,1-2H3,(H,19,21)(H2,18,20,22)
InChIKey JMCJDQUDCOWGEH-UHFFFAOYSA-N
Molecular Weight 333.837 g/mol
SMILES C(NC=1C(=CC=CC1C)C)(NNC(C=1C=C(Cl)C=CC1)=O)=S