| SpectraBase Spectrum ID |
AX1w88Yqw7G |
| Name |
1-(2-esylethyl)-2-methyl-4-nitro-imidazole |
| CAS Registry Number |
25459-12-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H13N3O4S |
| InChI |
InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-6-8(11(12)13)9-7(10)2/h6H,3-5H2,1-2H3 |
| InChIKey |
GHJQUSZGINOURI-UHFFFAOYSA-N |
| Molecular Weight |
247.269 g/mol |
| SMILES |
c1(nc(C)[n](c1)CCS(=O)(=O)CC)N(=O)=O |
| SPLASH |
splash10-0002-0090000000-92d502c6074951c41a55 |
| Source of Spectrum |
J-55-3703-3 |
| Synonyms |
1-(2-ethylsulfonylethyl)-2-methyl-4-nitro-imidazole
1-[2-(ethylsulfonyl)ethyl]-2-methyl-4-nitro-1H-imidazole |
| Wiley ID |
1249710 |
