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4-[4-Chlorophenyl]-3-thiosemicarbazone trans-cinnamaldehyde

View entire compound with spectra: 1 NMR, and 1 FTIR

4-[4-Chlorophenyl]-3-thiosemicarbazone trans-cinnamaldehyde
SpectraBase Compound ID FtZ2mhFFcpI
InChI InChI=1S/C16H14ClN3S/c17-14-8-10-15(11-9-14)19-16(21)20-18-12-4-7-13-5-2-1-3-6-13/h1-12H,(H2,19,20,21)/b7-4+,18-12+
InChIKey MSJNYDUUBZPJTI-ZTKKEOLVSA-N
Mol Weight 315.82 g/mol
Molecular Formula C16H14ClN3S
Exact Mass 315.059696 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LTXGvggnWFy
Name 4-[4-Chlorophenyl]-3-thiosemicarbazone trans-cinnamaldehyde
Comments Computed using HOSE algorithm
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Exact Mass 315.059696337 u
Formula C16H14ClN3S
InChI InChI=1S/C16H14ClN3S/c17-14-8-10-15(11-9-14)19-16(21)20-18-12-4-7-13-5-2-1-3-6-13/h1-12H,(H2,19,20,21)/b7-4+,18-12+
InChIKey MSJNYDUUBZPJTI-ZTKKEOLVSA-N
Molecular Weight 315.822 g/mol
SMILES C1=C(C=CC(=C1)Cl)NC(=S)N\N=C\C=C\C1=CC=CC=C1