| SpectraBase Compound ID | 5UceOBFgXga |
|---|---|
| InChI | InChI=1S/C6H7N/c1-3-4-6(2)5-7/h3H,1-2,4H2 |
| InChIKey | ITVDLIQJPKHJKD-UHFFFAOYSA-N |
| Mol Weight | 93.13 g/mol |
| Molecular Formula | C6H7N |
| Exact Mass | 93.057849 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FO0nGHXoKXV |
|---|---|
| Name | 4-Pentenenitrile, 2-methylene- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 93.057849229 u |
| Formula | C6H7N |
| InChI | InChI=1S/C6H7N/c1-3-4-6(2)5-7/h3H,1-2,4H2 |
| InChIKey | ITVDLIQJPKHJKD-UHFFFAOYSA-N |
| Molecular Weight | 93.129 g/mol |
| SMILES | C(C(C#N)=C)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887918 |