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2-Acetylpyridine 4,4-di-isobutylthiosemicarbazone

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

2-Acetylpyridine 4,4-di-isobutylthiosemicarbazone
SpectraBase Compound ID 32lBInp8ALN
InChI InChI=1S/C16H26N4S/c1-12(2)10-20(11-13(3)4)16(21)19-18-14(5)15-8-6-7-9-17-15/h6-9,12-13H,10-11H2,1-5H3,(H,19,21)/b18-14-
InChIKey ANRNNPONPHJKJJ-JXAWBTAJSA-N
Mol Weight 306.47 g/mol
Molecular Formula C16H26N4S
Exact Mass 306.187818 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ELP10fN3jaY
Name 2-Acetylpyridine 4,4-di-isobutylthiosemicarbazone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.187818027 u
Formula C16H26N4S
InChI InChI=1S/C16H26N4S/c1-12(2)10-20(11-13(3)4)16(21)19-18-14(5)15-8-6-7-9-17-15/h6-9,12-13H,10-11H2,1-5H3,(H,19,21)/b18-14-
InChIKey ANRNNPONPHJKJJ-JXAWBTAJSA-N
Molecular Weight 306.472 g/mol
SMILES C1(=CC=CC=N1)\C(=N/NC(N(CC(C)C)CC(C)C)=S)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956652