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4-(o-Chlorophenyl)-1-{[(o-nitrophenyl)thio]acetyl}-3-thiosemicarbazide
SpectraBase Compound ID CcUmqbnWpCy
InChI InChI=1S/C15H13ClN4O3S2/c16-10-5-1-2-6-11(10)17-15(24)19-18-14(21)9-25-13-8-4-3-7-12(13)20(22)23/h1-8H,9H2,(H,18,21)(H2,17,19,24)
InChIKey GLNDLPYJMUWKAJ-UHFFFAOYSA-N
Mol Weight 396.87 g/mol
Molecular Formula C15H13ClN4O3S2
Exact Mass 396.01176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KjMf9SREMDF
Name 4-(o-Chlorophenyl)-1-{[(o-nitrophenyl)thio]acetyl}-3-thiosemicarbazide
Comments Computed using HOSE algorithm
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Exact Mass 396.011760340 u
Formula C15H13ClN4O3S2
InChI InChI=1S/C15H13ClN4O3S2/c16-10-5-1-2-6-11(10)17-15(24)19-18-14(21)9-25-13-8-4-3-7-12(13)20(22)23/h1-8H,9H2,(H,18,21)(H2,17,19,24)
InChIKey GLNDLPYJMUWKAJ-UHFFFAOYSA-N
Molecular Weight 396.867 g/mol
SMILES N(C=1C=CC=CC1Cl)C(NNC(CSC=1C(=CC=CC1)N(=O)=O)=O)=S