| SpectraBase Compound ID | IO6r4Lyvu35 |
|---|---|
| InChI | InChI=1S/C17H16N2/c18-14-8-7-13-17(15-9-3-1-4-10-15)19-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13H2/b19-17+ |
| InChIKey | PUBKRSCPWYQPRO-HTXNQAPBSA-N |
| Mol Weight | 248.33 g/mol |
| Molecular Formula | C17H16N2 |
| Exact Mass | 248.131349 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gc6tnuJfEbV |
|---|---|
| Name | 5-Phenyl-5-(phenylimino)pentanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.131348523 u |
| Formula | C17H16N2 |
| InChI | InChI=1S/C17H16N2/c18-14-8-7-13-17(15-9-3-1-4-10-15)19-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13H2/b19-17+ |
| InChIKey | PUBKRSCPWYQPRO-HTXNQAPBSA-N |
| Molecular Weight | 248.329 g/mol |
| SMILES | C=1C=C(C=CC1)\C(CCCC#N)=N\C1=CC=CC=C1 |