| SpectraBase Compound ID | 7Yf0hiE6ldY |
|---|---|
| InChI | InChI=1S/C11H11N/c1-3-11(2,9-12)10-7-5-4-6-8-10/h3-8H,1H2,2H3 |
| InChIKey | QPJHDMLMEJIGFT-UHFFFAOYSA-N |
| Mol Weight | 157.22 g/mol |
| Molecular Formula | C11H11N |
| Exact Mass | 157.089149 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6WXpoLEZWzY |
|---|---|
| Name | 2-Methyl-2-phenyl-3-butenenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.089149358 u |
| Formula | C11H11N |
| InChI | InChI=1S/C11H11N/c1-3-11(2,9-12)10-7-5-4-6-8-10/h3-8H,1H2,2H3 |
| InChIKey | QPJHDMLMEJIGFT-UHFFFAOYSA-N |
| Molecular Weight | 157.216 g/mol |
| SMILES | C(#N)C(C=C)(C=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974181 |