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4-(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenyl-.delta.2-pyrazolin-5-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4-(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenyl-.delta.2-pyrazolin-5-one
SpectraBase Compound ID KeZK4ReG5CJ
InChI InChI=1S/C12H10N4OS2/c1-7-9(10-13-14-12(18)19-10)11(17)16(15-7)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,14,18)
InChIKey ANTLYEZUCMFOEU-UHFFFAOYSA-N
Mol Weight 290.36 g/mol
Molecular Formula C12H10N4OS2
Exact Mass 290.029603 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AfOoIFz7fJM
Name 4-(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenyl-.delta.2-pyrazolin-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.029603305 u
Formula C12H10N4OS2
InChI InChI=1S/C12H10N4OS2/c1-7-9(10-13-14-12(18)19-10)11(17)16(15-7)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,14,18)
InChIKey ANTLYEZUCMFOEU-UHFFFAOYSA-N
Molecular Weight 290.359 g/mol
SMILES C1(N(N=C(C1C=1SC(=S)NN1)C)C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.80848