| SpectraBase Compound ID | 6M3N82ZDFvO |
|---|---|
| InChI | InChI=1S/C10H9N3O2/c1-2-5-12-7-11-9-6-8(13(14)15)3-4-10(9)12/h2-4,6-7H,1,5H2 |
| InChIKey | POKPVTRAAFOWQJ-UHFFFAOYSA-N |
| Mol Weight | 203.2 g/mol |
| Molecular Formula | C10H9N3O2 |
| Exact Mass | 203.069477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AjdstD0ez1A |
|---|---|
| Name | 1-Allyl-5-nitro-1H-benzimidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.069476540 u |
| Formula | C10H9N3O2 |
| InChI | InChI=1S/C10H9N3O2/c1-2-5-12-7-11-9-6-8(13(14)15)3-4-10(9)12/h2-4,6-7H,1,5H2 |
| InChIKey | POKPVTRAAFOWQJ-UHFFFAOYSA-N |
| Molecular Weight | 203.201 g/mol |
| SMILES | C(C=C)N1C=2C=CC(N(=O)=O)=CC2N=C1 |