| SpectraBase Spectrum ID |
7GT0ihoQMaY |
| Name |
Methyl 5-cyano-3-methylisothiazole-4-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H6N2O2S |
| InChI |
InChI=1S/C7H6N2O2S/c1-4-6(7(10)11-2)5(3-8)12-9-4/h1-2H3 |
| InChIKey |
IKDCKXXSOMJARP-UHFFFAOYSA-N |
| Molecular Weight |
182.197 g/mol |
| SMILES |
c1(nsc(c1C(=O)OC)C#N)C |
| SPLASH |
splash10-001i-0900000000-66638b82379781a9359e |
| Source of Spectrum |
KC-0-79-9 |
| Synonyms |
5-cyano-3-methyl-4-isothiazolecarboxylic acid methyl ester
5-cyano-3-methyl-isothiazole-4-carboxylic acid methyl ester
methyl 5-cyano-3-methyl-1,2-thiazole-4-carboxylate |
| Wiley ID |
824133 |
