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2-Methyl-3-formyl-4[1H]quinolonethiosemicarbazone

View entire compound with spectra: 1 FTIR

2-Methyl-3-formyl-4[1H]quinolonethiosemicarbazone
SpectraBase Compound ID 2f8YiNWeDIp
InChI InChI=1S/C12H12N4OS/c1-7-9(6-17)11(15-16-12(13)18)8-4-2-3-5-10(8)14-7/h2-6H,1H3,(H,14,15)(H3,13,16,18)
InChIKey PUAHWVZHFGVNFE-UHFFFAOYSA-N
Mol Weight 260.31 g/mol
Molecular Formula C12H12N4OS
Exact Mass 260.073182 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2w82mBXDNcY
Name 2-Methyl-3-formyl-4[1H]quinolonethiosemicarbazone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.073182195 u
Formula C12H12N4OS
InChI InChI=1S/C12H12N4OS/c1-7-9(6-17)11(15-16-12(13)18)8-4-2-3-5-10(8)14-7/h2-6H,1H3,(H,14,15)(H3,13,16,18)
InChIKey PUAHWVZHFGVNFE-UHFFFAOYSA-N
SMILES C1=CC=CC2=C1NC(=C(\C2=N\NC(=S)N)C=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.829468