| SpectraBase Compound ID | C56w7bgKxn8 |
|---|---|
| InChI | InChI=1S/C11H11N/c12-8-11(10-6-7-10)9-4-2-1-3-5-9/h1-5,10-11H,6-7H2 |
| InChIKey | QSPUOGZKFWRGRU-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 | EnHpkY9JwPD |
|---|---|
| Name | 2-Cyclopropyl-2-phenylacetonitrile |
| 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/c12-8-11(10-6-7-10)9-4-2-1-3-5-9/h1-5,10-11H,6-7H2 |
| InChIKey | QSPUOGZKFWRGRU-UHFFFAOYSA-N |
| Molecular Weight | 157.216 g/mol |
| SMILES | C(#N)C(C1CC1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958645 |