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2-Acetylpyridine 4-N-propylthiosemicarbazone

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2-Acetylpyridine 4-N-propylthiosemicarbazone
SpectraBase Compound ID 3N20dJbmnHR
InChI InChI=1S/C11H16N4S/c1-3-7-13-11(16)15-14-9(2)10-6-4-5-8-12-10/h4-6,8H,3,7H2,1-2H3,(H2,13,15,16)/b14-9-
InChIKey WYTOKZJSUZKLNF-ZROIWOOFSA-N
Mol Weight 236.34 g/mol
Molecular Formula C11H16N4S
Exact Mass 236.109568 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3n3gkaGMS3Z
Name 2-Acetylpyridine 4-N-propylthiosemicarbazone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.109567705 u
Formula C11H16N4S
InChI InChI=1S/C11H16N4S/c1-3-7-13-11(16)15-14-9(2)10-6-4-5-8-12-10/h4-6,8H,3,7H2,1-2H3,(H2,13,15,16)/b14-9-
InChIKey WYTOKZJSUZKLNF-ZROIWOOFSA-N
Molecular Weight 236.337 g/mol
SMILES C1(=CC=CC=N1)\C(=N/NC(NCCC)=S)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874496