| SpectraBase Compound ID | 2IkX3mY8lmD |
|---|---|
| InChI | InChI=1S/C13H9N3O2/c17-16(18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15) |
| InChIKey | FHOXCSDDMCCTPM-UHFFFAOYSA-N |
| Mol Weight | 239.23 g/mol |
| Molecular Formula | C13H9N3O2 |
| Exact Mass | 239.069477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ao7pa8gHleF |
|---|---|
| Name | 5-Nitro-2-phenyl-1H-benzimidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.069476540 u |
| Formula | C13H9N3O2 |
| InChI | InChI=1S/C13H9N3O2/c17-16(18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15) |
| InChIKey | FHOXCSDDMCCTPM-UHFFFAOYSA-N |
| Molecular Weight | 239.234 g/mol |
| SMILES | C1(=NC=2C(N1)=CC=C(C2)N(=O)=O)C1=CC=CC=C1 |