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2-Acetylpyridine 4-[2-methoxybenzyl]-3-thiosemicarbazone

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

2-Acetylpyridine 4-[2-methoxybenzyl]-3-thiosemicarbazone
SpectraBase Compound ID pIU3C0lcfi
InChI InChI=1S/C16H18N4OS/c1-12(14-8-5-6-10-17-14)19-20-16(22)18-11-13-7-3-4-9-15(13)21-2/h3-10H,11H2,1-2H3,(H2,18,20,22)/b19-12-
InChIKey FVBKRSCXUFTONU-UNOMPAQXSA-N
Mol Weight 314.41 g/mol
Molecular Formula C16H18N4OS
Exact Mass 314.120132 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LIZVOhIFtAo
Name 2-Acetylpyridine 4-[2-methoxybenzyl]-3-thiosemicarbazone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.120132389 u
Formula C16H18N4OS
InChI InChI=1S/C16H18N4OS/c1-12(14-8-5-6-10-17-14)19-20-16(22)18-11-13-7-3-4-9-15(13)21-2/h3-10H,11H2,1-2H3,(H2,18,20,22)/b19-12-
InChIKey FVBKRSCXUFTONU-UNOMPAQXSA-N
Molecular Weight 314.407 g/mol
SMILES C(NCC=1C=CC=CC1OC)(N\N=C/(C1=NC=CC=C1)C)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89977