| SpectraBase Compound ID | 12C0NfsGEfw |
|---|---|
| InChI | InChI=1S/C20H15N3O4/c24-16-6-1-13(2-7-16)12-22-19-11-15(23(26)27)5-10-18(19)21-20(22)14-3-8-17(25)9-4-14/h1-11,24-25H,12H2 |
| InChIKey | AEGBOHYZJTXGMD-UHFFFAOYSA-N |
| Mol Weight | 361.36 g/mol |
| Molecular Formula | C20H15N3O4 |
| Exact Mass | 361.106256 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4EK2ADdhXTe |
|---|---|
| Name | 1-(p-Hydroxybenzyl)-2-(p-hydroxyphenyl)-6-nitrobenzimidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.106255971 u |
| Formula | C20H15N3O4 |
| InChI | InChI=1S/C20H15N3O4/c24-16-6-1-13(2-7-16)12-22-19-11-15(23(26)27)5-10-18(19)21-20(22)14-3-8-17(25)9-4-14/h1-11,24-25H,12H2 |
| InChIKey | AEGBOHYZJTXGMD-UHFFFAOYSA-N |
| SMILES | OC=1C=CC(C=2N(CC=3C=CC(=CC3)O)C3=C(N2)C=CC(=C3)N(=O)=O)=CC1 |