| SpectraBase Compound ID | B9rD61I7jVI |
|---|---|
| InChI | InChI=1S/C10H9N/c1-9(8-11)7-10-5-3-2-4-6-10/h2-6H,1,7H2 |
| InChIKey | ARBPOEAGKXLZHI-UHFFFAOYSA-N |
| Mol Weight | 143.19 g/mol |
| Molecular Formula | C10H9N |
| Exact Mass | 143.073499 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KpxeiKjfQ0A |
|---|---|
| Name | Benzenepropanenitrile, .alpha.-methylene- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 143.073499294 u |
| Formula | C10H9N |
| InChI | InChI=1S/C10H9N/c1-9(8-11)7-10-5-3-2-4-6-10/h2-6H,1,7H2 |
| InChIKey | ARBPOEAGKXLZHI-UHFFFAOYSA-N |
| Molecular Weight | 143.189 g/mol |
| SMILES | C(CC1=CC=CC=C1)(C#N)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980602 |