| SpectraBase Spectrum ID |
2935zT1tHcy |
| Name |
1-methyl-4-(methylsulfonyl)-5-nitro-1H-imidazole |
| CAS Registry Number |
113121-58-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C5H7N3O4S |
| InChI |
InChI=1S/C5H7N3O4S/c1-7-3-6-4(13(2,11)12)5(7)8(9)10/h3H,1-2H3 |
| InChIKey |
GBDVZLHCKQDABB-UHFFFAOYSA-N |
| Molecular Weight |
205.188 g/mol |
| SMILES |
c1(c(N(=O)=O)[n](C)cn1)S(=O)(=O)C |
| SPLASH |
splash10-0a4i-0090000000-cadb1824ed9e1754a461 |
| Source of Spectrum |
B-40-1420-0 |
| Synonyms |
1-methyl-4-methylsulfonyl-5-nitro-imidazole
4-mesyl-1-methyl-5-nitro-imidazole |
| Wiley ID |
1203141 |
