![3-[4-(2-Cyanoethoxy)anilino]propanenitrile](/api/spectrum/HxaNtaulIbB/structure.png?h=300&w=458 "3-[4-(2-Cyanoethoxy)anilino]propanenitrile")
| SpectraBase Compound ID | N52GtadnHj |
|---|---|
| InChI | InChI=1S/C12H13N3O/c13-7-1-9-15-11-3-5-12(6-4-11)16-10-2-8-14/h3-6,15H,1-2,9-10H2 |
| InChIKey | HABBHIXUJBRQCP-UHFFFAOYSA-N |
| Mol Weight | 215.26 g/mol |
| Molecular Formula | C12H13N3O |
| Exact Mass | 215.105862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HxaNtaulIbB |
|---|---|
| Name | 3-[4-(2-Cyanoethoxy)anilino]propanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.105862050 u |
| Formula | C12H13N3O |
| InChI | InChI=1S/C12H13N3O/c13-7-1-9-15-11-3-5-12(6-4-11)16-10-2-8-14/h3-6,15H,1-2,9-10H2 |
| InChIKey | HABBHIXUJBRQCP-UHFFFAOYSA-N |
| Molecular Weight | 215.256 g/mol |
| SMILES | C(CC#N)OC=1C=CC(NCCC#N)=CC1 |