![Z-2-Phenyl-3-[(2,6-dimethyl)hept-5-enyl]acrylonitrile](/api/spectrum/7W4Q0BIUaJR/structure.png?h=300&w=458 "Z-2-Phenyl-3-[(2,6-dimethyl)hept-5-enyl]acrylonitrile")
| SpectraBase Compound ID | CeCNHRBvUF2 |
|---|---|
| InChI | InChI=1S/C18H23N/c1-15(2)8-7-9-16(3)12-13-18(14-19)17-10-5-4-6-11-17/h4-6,8,10-11,13,16H,7,9,12H2,1-3H3/b18-13+ |
| InChIKey | GFSZRVPCVLAILG-QGOAFFKASA-N |
| Mol Weight | 253.39 g/mol |
| Molecular Formula | C18H23N |
| Exact Mass | 253.18305 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7W4Q0BIUaJR |
|---|---|
| Name | Z-2-Phenyl-3-[(2,6-dimethyl)hept-5-enyl]acrylonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.183049745 u |
| Formula | C18H23N |
| InChI | InChI=1S/C18H23N/c1-15(2)8-7-9-16(3)12-13-18(14-19)17-10-5-4-6-11-17/h4-6,8,10-11,13,16H,7,9,12H2,1-3H3/b18-13+ |
| InChIKey | GFSZRVPCVLAILG-QGOAFFKASA-N |
| Molecular Weight | 253.389 g/mol |
| SMILES | C(\C(=C/CC(CCC=C(C)C)C)C=1C=CC=CC1)#N |