| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BKuuExfQfRA |
|---|---|
| Name | 3-Methyl-isothiazole |
| CAS Registry Number | 693-92-5 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C4H5NS |
| InChI | InChI=1S/C4H5NS/c1-4-2-3-6-5-4/h2-3H,1H3 |
| InChIKey | WOTIUKDGJBXFLG-UHFFFAOYSA-N |
| Literature Reference | Can. J. Chem. 53, 1677 (1975). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Acetone-D6 |