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5-Methyl-3-[.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl]rhodanine

View entire compound with spectra: 1 FTIR

5-Methyl-3-[.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl]rhodanine
SpectraBase Compound ID FFRgwf4tnUe
InChI InChI=1S/C11H8F3NOS2/c1-6-9(16)15(10(17)18-6)8-4-2-3-7(5-8)11(12,13)14/h2-6H,1H3
InChIKey AYUODXCVNHMADC-UHFFFAOYSA-N
Mol Weight 291.31 g/mol
Molecular Formula C11H8F3NOS2
Exact Mass 290.999941 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3frrwDc5Sxo
Name 5-Methyl-3-[.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl]rhodanine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.999940718 u
Formula C11H8F3NOS2
InChI InChI=1S/C11H8F3NOS2/c1-6-9(16)15(10(17)18-6)8-4-2-3-7(5-8)11(12,13)14/h2-6H,1H3
InChIKey AYUODXCVNHMADC-UHFFFAOYSA-N
Molecular Weight 291.306 g/mol
SMILES CC1C(=O)N(C(=S)S1)C1=CC(C(F)(F)F)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85731