| SpectraBase Compound ID | 5i6BHdb2haB |
|---|---|
| InChI | InChI=1S/C13H8N2O3S/c16-15(17)11-3-7-13(8-4-11)18-12-5-1-10(2-6-12)14-9-19/h1-8H |
| InChIKey | SVMGVZLUIWGYPH-UHFFFAOYSA-N |
| Mol Weight | 272.28 g/mol |
| Molecular Formula | C13H8N2O3S |
| Exact Mass | 272.025563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A1hLC2vnuge |
|---|---|
| Name | Nitroscanate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.025563297 u |
| Formula | C13H8N2O3S |
| InChI | InChI=1S/C13H8N2O3S/c16-15(17)11-3-7-13(8-4-11)18-12-5-1-10(2-6-12)14-9-19/h1-8H |
| InChIKey | SVMGVZLUIWGYPH-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)OC1=CC=C(C=C1)N=C=S)N(=O)=O |