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

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

2-Acetylpyridine 4-[3,5-dichlorophenyl]-3-thiosemicarbazone
SpectraBase Compound ID BZji3eaNB7G
InChI InChI=1S/C14H12Cl2N4S/c1-9(13-4-2-3-5-17-13)19-20-14(21)18-12-7-10(15)6-11(16)8-12/h2-8H,1H3,(H2,18,20,21)/b19-9+
InChIKey QQUQPBSBEPKFRO-DJKKODMXSA-N
Mol Weight 339.24 g/mol
Molecular Formula C14H12Cl2N4S
Exact Mass 338.015973 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JWjQDD2ot19
Name 2-Acetylpyridine 4-[3,5-dichlorophenyl]-3-thiosemicarbazone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.015972976 u
Formula C14H12Cl2N4S
InChI InChI=1S/C14H12Cl2N4S/c1-9(13-4-2-3-5-17-13)19-20-14(21)18-12-7-10(15)6-11(16)8-12/h2-8H,1H3,(H2,18,20,21)/b19-9+
InChIKey QQUQPBSBEPKFRO-DJKKODMXSA-N
Molecular Weight 339.244 g/mol
SMILES C(N\N=C\(C=1C=CC=CN1)C)(NC1=CC(=CC(=C1)Cl)Cl)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95489