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3-Methyl-isothiazole

Compound with spectra: 7 NMR, 1 FTIR, and 1 MS (GC)

3-Methyl-isothiazole
SpectraBase Compound ID DBcmDT9zFEW
InChI InChI=1S/C4H5NS/c1-4-2-3-6-5-4/h2-3H,1H3
InChIKey WOTIUKDGJBXFLG-UHFFFAOYSA-N
Mol Weight 99.15 g/mol
Molecular Formula C4H5NS
Exact Mass 99.01427 g/mol

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

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

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

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

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

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

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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

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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

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum DK-268-13-2
  • Isothiazole, 3-methyl-
3-Chloro-isothiazole
Isothiazole, 5-bromo-3-methyl-
Isothiazole
4-Methyl-isothiazole
5-Methylisothiazole
3-Methyl-1,2,5-thiadiazole
Isothiazole-4-D
2-Methylpyrrol
isothiazole, 4-bromo-
isothiazole, 4-iodo-
Title Journal or Book Year
Etudes d'hétérocycles pentagonaux polyhétéroatomiques par résonance magnétique nucléaire du 13C. Thiazoles et thiazolo[2,3-e]tétrazoles Canadian Journal of Chemistry 1978
Etudes expérimentales et théoriques des déplacements chimiques du carbone-13 en serie isothiazolique Canadian Journal of Chemistry 1975
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