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3-Pyrazolin-4-carboxaldehyde, 2,3-dimethyl-5-oxo-1-phenyl-, 4-thiosemicarbazide
SpectraBase Compound ID 1oS71pNHiL0
InChI InChI=1S/C13H15N5OS/c1-9-11(8-15-16-13(14)20)12(19)18(17(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H3,14,16,20)/b15-8+
InChIKey VFOGUHADTUZDBY-OVCLIPMQSA-N
Mol Weight 289.36 g/mol
Molecular Formula C13H15N5OS
Exact Mass 289.099731 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9AMrqIl6HvT
Name 3-Pyrazolin-4-carboxaldehyde, 2,3-dimethyl-5-oxo-1-phenyl-, 4-thiosemicarbazide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.099731296 u
Formula C13H15N5OS
InChI InChI=1S/C13H15N5OS/c1-9-11(8-15-16-13(14)20)12(19)18(17(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H3,14,16,20)/b15-8+
InChIKey VFOGUHADTUZDBY-OVCLIPMQSA-N
SMILES C1(C(=C(C)N(N1C1=CC=CC=C1)C)\C=N\NC(=S)N)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879567