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2-Pyridinecarbaldehyde 4-isobutylthiosemicarbazone

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2-Pyridinecarbaldehyde 4-isobutylthiosemicarbazone
SpectraBase Compound ID 4xz4U2autYv
InChI InChI=1S/C11H16N4S/c1-9(2)7-13-11(16)15-14-8-10-5-3-4-6-12-10/h3-6,8-9H,7H2,1-2H3,(H2,13,15,16)/b14-8+
InChIKey NJWQSKZZYGTJNM-RIYZIHGNSA-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 LEczkFRTodI
Name 2-Pyridinecarbaldehyde 4-isobutylthiosemicarbazone
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/c1-9(2)7-13-11(16)15-14-8-10-5-3-4-6-12-10/h3-6,8-9H,7H2,1-2H3,(H2,13,15,16)/b14-8+
InChIKey NJWQSKZZYGTJNM-RIYZIHGNSA-N
Molecular Weight 236.337 g/mol
SMILES C1=C(N=CC=C1)\C=N\NC(NCC(C)C)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.812728