| SpectraBase Compound ID | 7XKciXoJTIb |
|---|---|
| InChI | InChI=1S/C17H26N2/c1-2-3-4-8-13-17(15-18)19-14-9-12-16-10-6-5-7-11-16/h5-7,10-11,17,19H,2-4,8-9,12-14H2,1H3 |
| InChIKey | WVTCDWYBDAAGJI-UHFFFAOYSA-N |
| Mol Weight | 258.41 g/mol |
| Molecular Formula | C17H26N2 |
| Exact Mass | 258.209599 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1OS1kcHFBXo |
|---|---|
| Name | 2-(3-Phenylpropylamino)octanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.209598845 u |
| Formula | C17H26N2 |
| InChI | InChI=1S/C17H26N2/c1-2-3-4-8-13-17(15-18)19-14-9-12-16-10-6-5-7-11-16/h5-7,10-11,17,19H,2-4,8-9,12-14H2,1H3 |
| InChIKey | WVTCDWYBDAAGJI-UHFFFAOYSA-N |
| Molecular Weight | 258.409 g/mol |
| SMILES | C(#N)C(NCCCC=1C=CC=CC1)CCCCCC |