![2-[(E)-3-cyclohexyl-1-methyl-allyl]-2-(1-phenylbut-3-enyl)malononitrile](/api/spectrum/JRDA9V5t6bO/structure.png?h=300&w=458 "2-[(E)-3-cyclohexyl-1-methyl-allyl]-2-(1-phenylbut-3-enyl)malononitrile")
| SpectraBase Compound ID | GRdK3AB2sd4 |
|---|---|
| InChI | InChI=1S/C23H28N2/c1-3-10-22(21-13-8-5-9-14-21)23(17-24,18-25)19(2)15-16-20-11-6-4-7-12-20/h3,5,8-9,13-16,19-20,22H,1,4,6-7,10-12H2,2H3/b16-15+ |
| InChIKey | PPVHXTSQIWCMQI-FOCLMDBBSA-N |
| Mol Weight | 332.49 g/mol |
| Molecular Formula | C23H28N2 |
| Exact Mass | 332.225249 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JRDA9V5t6bO |
|---|---|
| Name | 2-[(E)-3-Cyclohexyl-1-methyl-allyl]-2-(1-phenylbut-3-enyl)malononitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.225248910 u |
| Formula | C23H28N2 |
| InChI | InChI=1S/C23H28N2/c1-3-10-22(21-13-8-5-9-14-21)23(17-24,18-25)19(2)15-16-20-11-6-4-7-12-20/h3,5,8-9,13-16,19-20,22H,1,4,6-7,10-12H2,2H3/b16-15+ |
| InChIKey | PPVHXTSQIWCMQI-FOCLMDBBSA-N |
| Molecular Weight | 332.491 g/mol |
| SMILES | C=CCC(C(C(\C=C\C1CCCCC1)C)(C#N)C#N)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.819322 |