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1-[2-Acetylpyridine]-4,4-dipropyl-3-thiosemicabazone

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

1-[2-Acetylpyridine]-4,4-dipropyl-3-thiosemicabazone
SpectraBase Compound ID 8P9vCa2ye7S
InChI InChI=1S/C14H22N4S/c1-4-10-18(11-5-2)14(19)17-16-12(3)13-8-6-7-9-15-13/h6-9H,4-5,10-11H2,1-3H3,(H,17,19)/b16-12-
InChIKey AFPPMALWQHDSCL-VBKFSLOCSA-N
Mol Weight 278.42 g/mol
Molecular Formula C14H22N4S
Exact Mass 278.156518 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HvXpHlgqc0y
Name 1-[2-Acetylpyridine]-4,4-dipropyl-3-thiosemicabazone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.156517898 u
Formula C14H22N4S
InChI InChI=1S/C14H22N4S/c1-4-10-18(11-5-2)14(19)17-16-12(3)13-8-6-7-9-15-13/h6-9H,4-5,10-11H2,1-3H3,(H,17,19)/b16-12-
InChIKey AFPPMALWQHDSCL-VBKFSLOCSA-N
SMILES C1(=CC=CC=N1)\C(=N/NC(N(CCC)CCC)=S)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959415