![4-[3-(1H-Imidazol-4-yl)propoxy]benzonitrile](/api/spectrum/JSQztqA9Bc2/structure.png?h=300&w=458 "4-[3-(1H-Imidazol-4-yl)propoxy]benzonitrile")
| SpectraBase Compound ID | H9Z70x94ERm |
|---|---|
| InChI | InChI=1S/C13H13N3O/c14-8-11-3-5-13(6-4-11)17-7-1-2-12-9-15-10-16-12/h3-6,9-10H,1-2,7H2,(H,15,16) |
| InChIKey | XQNBJFUWFIHAMW-UHFFFAOYSA-N |
| Mol Weight | 227.27 g/mol |
| Molecular Formula | C13H13N3O |
| Exact Mass | 227.105862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JSQztqA9Bc2 |
|---|---|
| Name | 4-[3-(1H-Imidazol-4-yl)propoxy]benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.105862050 u |
| Formula | C13H13N3O |
| InChI | InChI=1S/C13H13N3O/c14-8-11-3-5-13(6-4-11)17-7-1-2-12-9-15-10-16-12/h3-6,9-10H,1-2,7H2,(H,15,16) |
| InChIKey | XQNBJFUWFIHAMW-UHFFFAOYSA-N |
| Molecular Weight | 227.267 g/mol |
| SMILES | C1=NC(CCCOC2=CC=C(C=C2)C#N)=CN1 |