| SpectraBase Compound ID | CQfSypLkZHX |
|---|---|
| InChI | InChI=1S/C6H9N/c1-3-4-6(2)5-7/h3-4,6H,1-2H3/b4-3- |
| InChIKey | GUMUOYSOENKSEG-ARJAWSKDSA-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 | HDIxdimoBIC |
|---|---|
| Name | 3-Pentenenitrile, 2-methyl-, (E)-(+)- |
| 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/c1-3-4-6(2)5-7/h3-4,6H,1-2H3/b4-3- |
| InChIKey | GUMUOYSOENKSEG-ARJAWSKDSA-N |
| Molecular Weight | 95.145 g/mol |
| SMILES | C(#N)C(\C=C/C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973753 |