![4-[(E)-3-aminoprop-1-enyl]benzonitrile](/api/spectrum/6SBBTrw2qcv/structure.png?h=300&w=458 "4-[(E)-3-aminoprop-1-enyl]benzonitrile")
| SpectraBase Compound ID | 8RoC5E0Su4x |
|---|---|
| InChI | InChI=1S/C10H10N2/c11-7-1-2-9-3-5-10(8-12)6-4-9/h1-6H,7,11H2/b2-1+ |
| InChIKey | IPRFIWUGUHOENH-OWOJBTEDSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C10H10N2 |
| Exact Mass | 158.084398 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6SBBTrw2qcv |
|---|---|
| Name | 4-[(E)-3-Aminoprop-1-enyl]benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.084398330 u |
| Formula | C10H10N2 |
| InChI | InChI=1S/C10H10N2/c11-7-1-2-9-3-5-10(8-12)6-4-9/h1-6H,7,11H2/b2-1+ |
| InChIKey | IPRFIWUGUHOENH-OWOJBTEDSA-N |
| Molecular Weight | 158.204 g/mol |
| SMILES | C(#N)C=1C=CC(\C=C\CN)=CC1 |