| SpectraBase Compound ID | GfQ5UkAUUg9 |
|---|---|
| InChI | InChI=1S/C14H18N2/c15-11-13-5-7-14(8-6-13)12-16-9-3-1-2-4-10-16/h5-8H,1-4,9-10,12H2 |
| InChIKey | BRDXQCQJDWRZDL-UHFFFAOYSA-N |
| Mol Weight | 214.31 g/mol |
| Molecular Formula | C14H18N2 |
| Exact Mass | 214.146999 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2LkbeCvQLTd |
|---|---|
| Name | 4-(Azepan-1-ylmethyl)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.146998588 u |
| Formula | C14H18N2 |
| InChI | InChI=1S/C14H18N2/c15-11-13-5-7-14(8-6-13)12-16-9-3-1-2-4-10-16/h5-8H,1-4,9-10,12H2 |
| InChIKey | BRDXQCQJDWRZDL-UHFFFAOYSA-N |
| Molecular Weight | 214.312 g/mol |
| SMILES | C1=CC(=CC=C1C#N)CN1CCCCCC1 |