![2-[(3-Nitro-2-pyridyl)thio]benzoxazole](/api/spectrum/H5eDpADVdtz/structure.png?h=300&w=458 "2-[(3-Nitro-2-pyridyl)thio]benzoxazole")
| SpectraBase Compound ID | Gu7dFNKcd6X |
|---|---|
| InChI | InChI=1S/C12H7N3O3S/c16-15(17)9-5-3-7-13-11(9)19-12-14-8-4-1-2-6-10(8)18-12/h1-7H |
| InChIKey | SSGZHRFBQVFZDA-UHFFFAOYSA-N |
| Mol Weight | 273.27 g/mol |
| Molecular Formula | C12H7N3O3S |
| Exact Mass | 273.020812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H5eDpADVdtz |
|---|---|
| Name | 2-[(3-Nitro-2-pyridyl)thio]benzoxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.020812268 u |
| Formula | C12H7N3O3S |
| InChI | InChI=1S/C12H7N3O3S/c16-15(17)9-5-3-7-13-11(9)19-12-14-8-4-1-2-6-10(8)18-12/h1-7H |
| InChIKey | SSGZHRFBQVFZDA-UHFFFAOYSA-N |
| Molecular Weight | 273.266 g/mol |
| SMILES | N(=O)(=O)C1=C(N=CC=C1)SC1=NC=2C=CC=CC2O1 |