| SpectraBase Compound ID | 7yksH7zAnCr |
|---|---|
| InChI | InChI=1S/C11H7N3/c12-7-11(8-13,9-14)6-10-4-2-1-3-5-10/h1-5H,6H2 |
| InChIKey | BSADQACEIUPZKE-UHFFFAOYSA-N |
| Mol Weight | 181.2 g/mol |
| Molecular Formula | C11H7N3 |
| Exact Mass | 181.063997 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JQCtJyE4yFb |
|---|---|
| Name | 2-Phenyl-1,1,1-ethanetricarbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.063997237 u |
| Formula | C11H7N3 |
| InChI | InChI=1S/C11H7N3/c12-7-11(8-13,9-14)6-10-4-2-1-3-5-10/h1-5H,6H2 |
| InChIKey | BSADQACEIUPZKE-UHFFFAOYSA-N |
| Molecular Weight | 181.198 g/mol |
| SMILES | C(C#N)(C#N)(C#N)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921941 |