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2-Acetylpyridine 4-[2,4,5-trichlorophenyl]-3-thiosemicarbazone

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

2-Acetylpyridine 4-[2,4,5-trichlorophenyl]-3-thiosemicarbazone
SpectraBase Compound ID L1ChOFjAPEf
InChI InChI=1S/C14H11Cl3N4S/c1-8(12-4-2-3-5-18-12)20-21-14(22)19-13-7-10(16)9(15)6-11(13)17/h2-7H,1H3,(H2,19,21,22)/b20-8+
InChIKey SXWOJHKXAKGHJG-DNTJNYDQSA-N
Mol Weight 373.69 g/mol
Molecular Formula C14H11Cl3N4S
Exact Mass 371.977001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7H7zk3brkg4
Name 2-Acetylpyridine 4-[2,4,5-trichlorophenyl]-3-thiosemicarbazone
Comments Computed using HOSE algorithm
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Exact Mass 371.977000644 u
Formula C14H11Cl3N4S
InChI InChI=1S/C14H11Cl3N4S/c1-8(12-4-2-3-5-18-12)20-21-14(22)19-13-7-10(16)9(15)6-11(13)17/h2-7H,1H3,(H2,19,21,22)/b20-8+
InChIKey SXWOJHKXAKGHJG-DNTJNYDQSA-N
Molecular Weight 373.689 g/mol
SMILES C(NC1=C(C=C(C(=C1)Cl)Cl)Cl)(N\N=C\(C1=NC=CC=C1)C)=S