| SpectraBase Compound ID | IiPcPUMe6sw |
|---|---|
| InChI | InChI=1S/C6H9N/c1-5(2)6(3)4-7/h5H,3H2,1-2H3 |
| InChIKey | CCMZKOAOMQSOQA-UHFFFAOYSA-N |
| Mol Weight | 95.14 g/mol |
| Molecular Formula | C6H9N |
| Exact Mass | 95.073499 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IZDzIgEcULN |
|---|---|
| Name | Butanenitrile, 3-methyl-2-methylene- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 95.073499294 u |
| Formula | C6H9N |
| InChI | InChI=1S/C6H9N/c1-5(2)6(3)4-7/h5H,3H2,1-2H3 |
| InChIKey | CCMZKOAOMQSOQA-UHFFFAOYSA-N |
| Molecular Weight | 95.145 g/mol |
| SMILES | C(C(C#N)=C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85562 |