| SpectraBase Compound ID | LBTEcdw5piZ |
|---|---|
| InChI | InChI=1S/C13H7N3O5/c17-15(18)9-3-1-8(2-4-9)13-14-11-7-10(16(19)20)5-6-12(11)21-13/h1-7H |
| InChIKey | OUBDKKXSOQPPEM-UHFFFAOYSA-N |
| Mol Weight | 285.22 g/mol |
| Molecular Formula | C13H7N3O5 |
| Exact Mass | 285.03857 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LWTfb7TYSIi |
|---|---|
| Name | 5-Nitro-2-(4-nitrophenyl)benzooxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.038570332 u |
| Formula | C13H7N3O5 |
| InChI | InChI=1S/C13H7N3O5/c17-15(18)9-3-1-8(2-4-9)13-14-11-7-10(16(19)20)5-6-12(11)21-13/h1-7H |
| InChIKey | OUBDKKXSOQPPEM-UHFFFAOYSA-N |
| Molecular Weight | 285.215 g/mol |
| SMILES | C1(=CC=C2C(=C1)N=C(O2)C1=CC=C(C=C1)N(=O)=O)N(=O)=O |