| SpectraBase Compound ID | IPpMiJMp8UJ |
|---|---|
| InChI | InChI=1S/C22H17N3O2/c26-25(27)21-16-24(17-23-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H |
| InChIKey | MUQGVERJAKANJN-UHFFFAOYSA-N |
| Mol Weight | 355.4 g/mol |
| Molecular Formula | C22H17N3O2 |
| Exact Mass | 355.132077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5hRBupql2S |
|---|---|
| Name | 1-Trityl-4-nitroimidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.132076797 u |
| Formula | C22H17N3O2 |
| InChI | InChI=1S/C22H17N3O2/c26-25(27)21-16-24(17-23-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H |
| InChIKey | MUQGVERJAKANJN-UHFFFAOYSA-N |
| Molecular Weight | 355.397 g/mol |
| SMILES | C1=CC=CC=C1C(C=1C=CC=CC1)(C1=CC=CC=C1)N1C=NC(=C1)N(=O)=O |