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3-tert-butyl-2-(3-chloro-4-fluoroanilino)-4-methylthiazolium iodide

View entire compound with spectra: 2 NMR, and 1 FTIR

3-tert-butyl-2-(3-chloro-4-fluoroanilino)-4-methylthiazolium iodide
SpectraBase Compound ID KbhWBOk8j6s
InChI InChI=1S/C14H16ClFN2S.HI/c1-9-8-19-13(18(9)14(2,3)4)17-10-5-6-12(16)11(15)7-10;/h5-8H,1-4H3;1H
InChIKey OZQWXTFMMHICAO-UHFFFAOYSA-N
Mol Weight 426.72 g/mol
Molecular Formula C14H17ClFIN2S
Exact Mass 425.982971 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4rzZLiw1m2v
Name 3-tert-BUTYL-2-(3-CHLORO-4-FLUOROANILINO)-4-METHYLTHIAZOLIUMIODIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17ClFIN2S
InChI InChI=1S/C14H16ClFN2S.HI/c1-9-8-19-13(18(9)14(2,3)4)17-10-5-6-12(16)11(15)7-10;/h5-8H,1-4H3;1H
InChIKey OZQWXTFMMHICAO-UHFFFAOYSA-N
Melting Point 188-191C
Molecular Weight 426.73
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Varian CFT-20
Synonyms THIAZOLIUM IODIDE, 3-tert-BUTYL- 2-/3-CHLORO-4-FLUOROANILINO/-4-METHYL-,