3-Methyl-isothiazole
Compound with spectra: 7 NMR, 1 FTIR, and 1 MS (GC)
| 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 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Acetone-D6 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Acetone-D6 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | ACETONE-D6 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Hd. Hofmann, Hans J. Zimmer AG., Frankfurt (Main), Germany |
| Solvent | CCl4 |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Hd. Hofmann, Hans J. Zimmer AG., Frankfurt (Main), Germany |
| Technique | CAPILLARY CELL: NEAT |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | DK-268-13-2 |
- Isothiazole, 3-methyl-
- 3-Methyl-1,2-thiazole
| 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 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.