| SpectraBase Compound ID | AsmONRz6Zpp |
|---|---|
| InChI | InChI=1S/C12H13N3O5S/c1-10-2-4-11(5-3-10)21(18,19)20-7-6-14-9-13-8-12(14)15(16)17/h2-5,8-9H,6-7H2,1H3 |
| InChIKey | JSSZLZYUEMKSRL-UHFFFAOYSA-N |
| Mol Weight | 311.31 g/mol |
| Molecular Formula | C12H13N3O5S |
| Exact Mass | 311.057592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KKZjlGCyeZU |
|---|---|
| Name | 5-Nitro-1-(2-tosyloxyethyl)imidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.057591700 u |
| Formula | C12H13N3O5S |
| InChI | InChI=1S/C12H13N3O5S/c1-10-2-4-11(5-3-10)21(18,19)20-7-6-14-9-13-8-12(14)15(16)17/h2-5,8-9H,6-7H2,1H3 |
| InChIKey | JSSZLZYUEMKSRL-UHFFFAOYSA-N |
| Molecular Weight | 311.312 g/mol |
| SMILES | C1=NC=C(N1CCOS(=O)(=O)C=1C=CC(C)=CC1)N(=O)=O |