![4-[3-(4-Nitrobenzyloxy)propyl]-1H-imidazole](/api/spectrum/CjR0A5IWBT3/structure.png?h=300&w=458 "4-[3-(4-Nitrobenzyloxy)propyl]-1H-imidazole")
| SpectraBase Compound ID | E6mJTtcydUO |
|---|---|
| InChI | InChI=1S/C13H15N3O3/c17-16(18)13-5-3-11(4-6-13)9-19-7-1-2-12-8-14-10-15-12/h3-6,8,10H,1-2,7,9H2,(H,14,15) |
| InChIKey | BIIBRDMDQDQFHU-UHFFFAOYSA-N |
| Mol Weight | 261.28 g/mol |
| Molecular Formula | C13H15N3O3 |
| Exact Mass | 261.111341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CjR0A5IWBT3 |
|---|---|
| Name | 4-[3-(4-Nitrobenzyloxy)propyl]-1H-imidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.111341352 u |
| Formula | C13H15N3O3 |
| InChI | InChI=1S/C13H15N3O3/c17-16(18)13-5-3-11(4-6-13)9-19-7-1-2-12-8-14-10-15-12/h3-6,8,10H,1-2,7,9H2,(H,14,15) |
| InChIKey | BIIBRDMDQDQFHU-UHFFFAOYSA-N |
| Molecular Weight | 261.281 g/mol |
| SMILES | C1=NC(CCCOCC2=CC=C(C=C2)N(=O)=O)=CN1 |