| SpectraBase Compound ID | BJrJwas0ffW |
|---|---|
| InChI | InChI=1S/C17H23N3/c18-12-5-7-15-20(16-8-13-19)14-6-4-11-17-9-2-1-3-10-17/h1-3,9-10H,4-8,11,14-16H2 |
| InChIKey | CLLVGOUBFXKCBD-UHFFFAOYSA-N |
| Mol Weight | 269.39 g/mol |
| Molecular Formula | C17H23N3 |
| Exact Mass | 269.189198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8zuWJSDUNuY |
|---|---|
| Name | N-(2'-Cyanoethyl)-N-(3""-cyanopropyl)-4-phenylbutanamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.189197753 u |
| Formula | C17H23N3 |
| InChI | InChI=1S/C17H23N3/c18-12-5-7-15-20(16-8-13-19)14-6-4-11-17-9-2-1-3-10-17/h1-3,9-10H,4-8,11,14-16H2 |
| InChIKey | CLLVGOUBFXKCBD-UHFFFAOYSA-N |
| Molecular Weight | 269.392 g/mol |
| SMILES | C(#N)CCN(CCCC#N)CCCCC=1C=CC=CC1 |