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2-Acetylpyridine 4-benzyl-4-methylthiosemicarbazone

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

2-Acetylpyridine 4-benzyl-4-methylthiosemicarbazone
SpectraBase Compound ID C04b7UGbl0C
InChI InChI=1S/C16H18N4S/c1-13(15-10-6-7-11-17-15)18-19-16(21)20(2)12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,19,21)/b18-13-
InChIKey ZVGFLLUQOKYCJT-AQTBWJFISA-N
Mol Weight 298.41 g/mol
Molecular Formula C16H18N4S
Exact Mass 298.125218 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 74Hj7G1UPjC
Name 2-Acetylpyridine 4-benzyl-4-methylthiosemicarbazone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.125217770 u
Formula C16H18N4S
InChI InChI=1S/C16H18N4S/c1-13(15-10-6-7-11-17-15)18-19-16(21)20(2)12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,19,21)/b18-13-
InChIKey ZVGFLLUQOKYCJT-AQTBWJFISA-N
SMILES C(N\N=C\(C)C1=CC=CC=N1)(N(CC1=CC=CC=C1)C)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945934