| SpectraBase Compound ID | Bv3zmy0DSTR |
|---|---|
| InChI | InChI=1S/C10H7N3O3S/c14-9-8(11-10(17)12-9)5-6-2-1-3-7(4-6)13(15)16/h1-5H,(H2,11,12,14,17)/b8-5+ |
| InChIKey | YLAMPWFIFGRNCQ-VMPITWQZSA-N |
| Mol Weight | 249.24 g/mol |
| Molecular Formula | C10H7N3O3S |
| Exact Mass | 249.020812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4tQqCmlC141 |
|---|---|
| Name | 4-(m-Nitrobenzylidene)-5-oxo-2-thiooxoimidazolidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.020812268 u |
| Formula | C10H7N3O3S |
| InChI | InChI=1S/C10H7N3O3S/c14-9-8(11-10(17)12-9)5-6-2-1-3-7(4-6)13(15)16/h1-5H,(H2,11,12,14,17)/b8-5+ |
| InChIKey | YLAMPWFIFGRNCQ-VMPITWQZSA-N |
| Molecular Weight | 249.244 g/mol |
| SMILES | C1(\C(NC(N1)=S)=C/C1=CC=CC(=C1)N(=O)=O)=O |