| SpectraBase Compound ID | 9xCjaKX9W6A |
|---|---|
| InChI | InChI=1S/C14H14N2/c1-14(2,3)13-6-4-11(5-7-13)8-12(9-15)10-16/h4-8H,1-3H3 |
| InChIKey | NGRNPCRKWWPGJG-UHFFFAOYSA-N |
| Mol Weight | 210.28 g/mol |
| Molecular Formula | C14H14N2 |
| Exact Mass | 210.115698 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CNjbV7gzYvW |
|---|---|
| Name | 4-Tert-butylbenzylidenemalononitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.115698459 u |
| Formula | C14H14N2 |
| InChI | InChI=1S/C14H14N2/c1-14(2,3)13-6-4-11(5-7-13)8-12(9-15)10-16/h4-8H,1-3H3 |
| InChIKey | NGRNPCRKWWPGJG-UHFFFAOYSA-N |
| Molecular Weight | 210.280 g/mol |
| SMILES | C1(=CC=C(C=C1)C(C)(C)C)C=C(C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867932 |