| SpectraBase Spectrum ID |
4aTuXeykzai |
| Name |
ethyl 1-methyl-4,5-dinitroimidazole-2-carboxylate |
| Alternate Name(s) |
ethyl 1-methyl-4,5-dinitro-1H-imidazole-2-carboxylate |
| CAS Registry Number |
109012-22-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H8N4O6 |
| InChI |
InChI=1S/C7H8N4O6/c1-3-17-7(12)5-8-4(10(13)14)6(9(5)2)11(15)16/h3H2,1-2H3 |
| InChIKey |
XGJZAEJEAMIADX-UHFFFAOYSA-N |
| Molecular Weight |
244.163 g/mol |
| SMILES |
c1(c([n](C)c(n1)C(=O)OCC)N(=O)=O)N(=O)=O |
| SPLASH |
splash10-00di-0920000000-f893e86c4a39dbc2c840 |
| Source of Spectrum |
J-52-3497-3 |
| Wiley ID |
1246408 |
