For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-Methyl-isothiazole

Compound with spectra: 9 NMR, 1 FTIR, 1 UV-Vis, and 1 MS (GC)

4-Methyl-isothiazole
SpectraBase Compound ID 8IDhIvEQ1bQ
InChI InChI=1S/C4H5NS/c1-4-2-5-6-3-4/h2-3H,1H3
InChIKey YUTQRQJTFPEEPB-UHFFFAOYSA-N
Mol Weight 99.15 g/mol
Molecular Formula C4H5NS
Exact Mass 99.01427 g/mol

View Spectrum of 4-Methyl-isothiazole

13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample R. Rupprecht, W. Bremser BASF Ludwigshafen (1982)
Solvent Polysol; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WM-360

View Spectrum of 4-Methyl-isothiazole

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3/DMSO-D6

View Spectrum of 4-Methyl-isothiazole

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent Acetone-D6

View Spectrum of 4-Methyl-isothiazole

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3/DMSO-D6

View Spectrum of 4-Methyl-isothiazole

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent Acetone-D6

View Spectrum of 4-Methyl-isothiazole

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACETONE-D6

View Spectrum of 4-Methyl-isothiazole

1H NMR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Hd. Hofmann, Hans J. Zimmer AG., Frankfurt (Main), Germany
Solvent CCl4

View Spectrum of 4-Methyl-isothiazole

15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of 4-Methyl-isothiazole

15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of 4-Methyl-isothiazole

FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Hd. Hofmann, Hans J. Zimmer AG., Frankfurt (Main), Germany
Technique CAPILLARY CELL: NEAT

View Spectrum of 4-Methyl-isothiazole

UV-Vis Spectrum
Copyright Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Methanol

View Spectrum of 4-Methyl-isothiazole

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AD-0-5716-0
  • Isothiazole, 4-methyl-
Isothiazole-4-D
Isothiazole, 3,4-dimethyl-
Isothiazole
4,5-dimethyl-1,2-thiazole
3-Chloro-4-methyl-isothiazole
3-Methyl-isothiazole
5-Methylisothiazole
Isothiazole, 4-nitro-
4-Methylpyrazole
3-Methylthiophene
Title Journal or Book Year
15N-NMR Spectra of Azoles with Two Heteroatoms Helvetica Chimica Acta 1983
Etudes expérimentales et théoriques des déplacements chimiques du carbone-13 en serie isothiazolique Canadian Journal of Chemistry 1975
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.