| SpectraBase Compound ID | 9CrDcSZZerU |
|---|---|
| InChI | InChI=1S/C7H11NO/c1-3-7(6-8)4-5-9-2/h3H,4-5H2,1-2H3/b7-3+ |
| InChIKey | FEFFHIDVDSPGGE-XVNBXDOJSA-N |
| Mol Weight | 125.17 g/mol |
| Molecular Formula | C7H11NO |
| Exact Mass | 125.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6vNybudVHvX |
|---|---|
| Name | (E)-2-(2-Methoxyethyl)-2-butenenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 125.084063977 u |
| Formula | C7H11NO |
| InChI | InChI=1S/C7H11NO/c1-3-7(6-8)4-5-9-2/h3H,4-5H2,1-2H3/b7-3+ |
| InChIKey | FEFFHIDVDSPGGE-XVNBXDOJSA-N |
| Molecular Weight | 125.171 g/mol |
| SMILES | C(#N)\C(=C\C)CCOC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941077 |