| SpectraBase Compound ID | JMHbARDD5Vz |
|---|---|
| InChI | InChI=1S/C13H14N2/c1-10(2)13(12(8-14)9-15)11-6-4-3-5-7-11/h3-7,10,12-13H,1-2H3 |
| InChIKey | QUIYFWMUOFIMJW-UHFFFAOYSA-N |
| Mol Weight | 198.27 g/mol |
| Molecular Formula | C13H14N2 |
| Exact Mass | 198.115698 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9IkWcuPMkjq |
|---|---|
| Name | 1,1-Dicyano-3-methyl-2-phenylbutane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.115698459 u |
| Formula | C13H14N2 |
| InChI | InChI=1S/C13H14N2/c1-10(2)13(12(8-14)9-15)11-6-4-3-5-7-11/h3-7,10,12-13H,1-2H3 |
| InChIKey | QUIYFWMUOFIMJW-UHFFFAOYSA-N |
| Molecular Weight | 198.269 g/mol |
| SMILES | C(C(C(C)C)C=1C=CC=CC1)(C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933067 |