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1H-indole-3-carbaldehyde N-(2,4-dichlorophenyl)thiosemicarbazone

View entire compound with spectra: 2 NMR

1H-indole-3-carbaldehyde N-(2,4-dichlorophenyl)thiosemicarbazone
SpectraBase Compound ID HNL5fuMJQht
InChI InChI=1S/C16H12Cl2N4S/c17-11-5-6-15(13(18)7-11)21-16(23)22-20-9-10-8-19-14-4-2-1-3-12(10)14/h1-9,19H,(H2,21,22,23)/b20-9+
InChIKey KMOMSVLTQOEZND-AWQFTUOYSA-N
Mol Weight 363.27 g/mol
Molecular Formula C16H12Cl2N4S
Exact Mass 362.015973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D3LLfbDcJgZ
Name 1H-Indole-3-carbaldehyde N-(2,4-dichlorophenyl)thiosemicarbazone
Comments Computed using HOSE algorithm
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Exact Mass 362.015972976 u
Formula C16H12Cl2N4S
InChI InChI=1S/C16H12Cl2N4S/c17-11-5-6-15(13(18)7-11)21-16(23)22-20-9-10-8-19-14-4-2-1-3-12(10)14/h1-9,19H,(H2,21,22,23)/b20-9+
InChIKey KMOMSVLTQOEZND-AWQFTUOYSA-N
Molecular Weight 363.266 g/mol
SMILES N1C2=C(C(\C=N\NC(NC3=C(C=C(C=C3)Cl)Cl)=S)=C1)C=CC=C2