| SpectraBase Compound ID | FRYSDpjZoP6 |
|---|---|
| InChI | InChI=1S/C17H12N2/c18-12-16-8-4-14(5-9-16)2-1-3-15-6-10-17(13-19)11-7-15/h1-2,4-11H,3H2/b2-1+ |
| InChIKey | HIONPWGYTCNZNT-OWOJBTEDSA-N |
| Mol Weight | 244.3 g/mol |
| Molecular Formula | C17H12N2 |
| Exact Mass | 244.100048 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FDLwHTlUT24 |
|---|---|
| Name | (E)-4,4'-(Prop-1-ene-1,3-diyl)dibenzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.100048394 u |
| Formula | C17H12N2 |
| InChI | InChI=1S/C17H12N2/c18-12-16-8-4-14(5-9-16)2-1-3-15-6-10-17(13-19)11-7-15/h1-2,4-11H,3H2/b2-1+ |
| InChIKey | HIONPWGYTCNZNT-OWOJBTEDSA-N |
| Molecular Weight | 244.297 g/mol |
| SMILES | C=1(C=CC(\C=C\CC2=CC=C(C=C2)C#N)=CC1)C#N |