| SpectraBase Spectrum ID |
I9IYTugI8Xs |
| Name |
2-Methyl-4-(methoxycarbonyl)thiazole-5-acetonitrile |
| Alternate Name(s) |
5-(Diamino-methoxycarbonyl-methyl)-2-methyl-thiazole-4-carboxylic acid methyl ester |
| Comments |
Note: The molecular formula of the structure shown is C8H8N2O2S - which differs from the formula reported for the mass spectrum (C9H9N3O4S) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H9N3O4S |
| InChI |
InChI=1S/C8H8N2O2S/c1-5-10-7(8(11)12-2)6(13-5)3-4-9/h3H2,1-2H3 |
| InChIKey |
WFHOFNGVYZAHOX-UHFFFAOYSA-N |
| Molecular Weight |
196.224 g/mol |
| SMILES |
Cc1sc(c(n1)C(=O)OC)CC#N |
| SPLASH |
splash10-0560-0930000000-6500092861d095ae4c5a |
| Source of Spectrum |
H1-48-858-5 |
| Wiley ID |
816304 |
