| SpectraBase Compound ID | 7FGGcpa0gJ9 |
|---|---|
| InChI | InChI=1S/C9H7NO/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4,7H,5H2 |
| InChIKey | WCDYDXKTMKLNIL-UHFFFAOYSA-N |
| Mol Weight | 145.16 g/mol |
| Molecular Formula | C9H7NO |
| Exact Mass | 145.052764 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Idsp3rmVALn |
|---|---|
| Name | 2-(2-Formylphenyl)acetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 145.052763848 u |
| Formula | C9H7NO |
| InChI | InChI=1S/C9H7NO/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4,7H,5H2 |
| InChIKey | WCDYDXKTMKLNIL-UHFFFAOYSA-N |
| Molecular Weight | 145.161 g/mol |
| SMILES | C(#N)CC=1C(C=O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913185 |