| SpectraBase Compound ID | 1flvg7Ay7H5 |
|---|---|
| InChI | InChI=1S/C18H18N2/c19-14-8-7-13-18(17-11-5-2-6-12-17)20-15-16-9-3-1-4-10-16/h1-6,9-12H,7-8,13,15H2/b20-18+ |
| InChIKey | SBPCYMQSEJPWML-CZIZESTLSA-N |
| Mol Weight | 262.36 g/mol |
| Molecular Formula | C18H18N2 |
| Exact Mass | 262.146999 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J2KXO33R93m |
|---|---|
| Name | 5-(Benzylimino)-5-phenylpentanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.146998588 u |
| Formula | C18H18N2 |
| InChI | InChI=1S/C18H18N2/c19-14-8-7-13-18(17-11-5-2-6-12-17)20-15-16-9-3-1-4-10-16/h1-6,9-12H,7-8,13,15H2/b20-18+ |
| InChIKey | SBPCYMQSEJPWML-CZIZESTLSA-N |
| Molecular Weight | 262.356 g/mol |
| SMILES | C=1C=C(\C(CCCC#N)=N\CC2=CC=CC=C2)C=CC1 |