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4-[2-Ethylphenyl]-3-thiosemicarbazone 2-acetylpyridine

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

4-[2-Ethylphenyl]-3-thiosemicarbazone 2-acetylpyridine
SpectraBase Compound ID 9dq65tgEb3
InChI InChI=1S/C16H18N4S/c1-3-13-8-4-5-10-15(13)18-16(21)20-19-12(2)14-9-6-7-11-17-14/h4-11H,3H2,1-2H3,(H2,18,20,21)/b19-12+
InChIKey WQDZJTDBQAKPAV-XDHOZWIPSA-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 BanGYuSUwow
Name 4-[2-Ethylphenyl]-3-thiosemicarbazone 2-acetylpyridine
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/c1-3-13-8-4-5-10-15(13)18-16(21)20-19-12(2)14-9-6-7-11-17-14/h4-11H,3H2,1-2H3,(H2,18,20,21)/b19-12+
InChIKey WQDZJTDBQAKPAV-XDHOZWIPSA-N
Molecular Weight 298.408 g/mol
SMILES C(NC1=CC=CC=C1CC)(N\N=C\(C1=NC=CC=C1)C)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953467