| SpectraBase Compound ID | 8Zf9ZjKMv69 |
|---|---|
| InChI | InChI=1S/C10H8N2/c1-8-4-2-3-5-10(8)9(6-11)7-12/h2-5,9H,1H3 |
| InChIKey | NZXWZXJLYONMSV-UHFFFAOYSA-N |
| Mol Weight | 156.19 g/mol |
| Molecular Formula | C10H8N2 |
| Exact Mass | 156.068748 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9ar2JHOgT2y |
|---|---|
| Name | (2-Methylphenyl)malononitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.068748266 u |
| Formula | C10H8N2 |
| InChI | InChI=1S/C10H8N2/c1-8-4-2-3-5-10(8)9(6-11)7-12/h2-5,9H,1H3 |
| InChIKey | NZXWZXJLYONMSV-UHFFFAOYSA-N |
| Molecular Weight | 156.188 g/mol |
| SMILES | C(#N)C(C#N)C=1C(C)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875803 |