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4-[2-Chlorophenyl]-3-thiosemicarbazone 2-propionylpyridine

View entire compound with spectra: 1 FTIR

4-[2-Chlorophenyl]-3-thiosemicarbazone 2-propionylpyridine
SpectraBase Compound ID Enckv4SYeW8
InChI InChI=1S/C15H15ClN4S/c1-2-12(14-9-5-6-10-17-14)19-20-15(21)18-13-8-4-3-7-11(13)16/h3-10H,2H2,1H3,(H2,18,20,21)/b19-12+
InChIKey ZDTMFNNYXHBHPP-XDHOZWIPSA-N
Mol Weight 318.83 g/mol
Molecular Formula C15H15ClN4S
Exact Mass 318.070595 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GqPALyFd8FB
Name 4-[2-Chlorophenyl]-3-thiosemicarbazone 2-propionylpyridine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.070595373 u
Formula C15H15ClN4S
InChI InChI=1S/C15H15ClN4S/c1-2-12(14-9-5-6-10-17-14)19-20-15(21)18-13-8-4-3-7-11(13)16/h3-10H,2H2,1H3,(H2,18,20,21)/b19-12+
InChIKey ZDTMFNNYXHBHPP-XDHOZWIPSA-N
Molecular Weight 318.826 g/mol
SMILES C1(\C(=N\NC(NC=2C=CC=CC2Cl)=S)CC)=NC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926066