| SpectraBase Compound ID | bHPi6JpuZ |
|---|---|
| InChI | InChI=1S/C9H7N3O4S/c13-12(14)9-6-11(7-10-9)17(15,16)8-4-2-1-3-5-8/h1-7H |
| InChIKey | BECYHQLKGKPVHW-UHFFFAOYSA-N |
| Mol Weight | 253.23 g/mol |
| Molecular Formula | C9H7N3O4S |
| Exact Mass | 253.015727 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ADOGkdKLzL |
|---|---|
| Name | 1-Besyl-4-nitro-imidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.015726887 u |
| Formula | C9H7N3O4S |
| InChI | InChI=1S/C9H7N3O4S/c13-12(14)9-6-11(7-10-9)17(15,16)8-4-2-1-3-5-8/h1-7H |
| InChIKey | BECYHQLKGKPVHW-UHFFFAOYSA-N |
| Molecular Weight | 253.232 g/mol |
| SMILES | C=1(S(N2C=C(N(=O)=O)N=C2)(=O)=O)C=CC=CC1 |