| SpectraBase Compound ID | EYPBiyOWGGy |
|---|---|
| InChI | InChI=1S/C6H9NO/c1-6(5-7)3-4-8-2/h3H,4H2,1-2H3/b6-3+ |
| InChIKey | XAOJOTMABLRVQP-ZZXKWVIFSA-N |
| Mol Weight | 111.14 g/mol |
| Molecular Formula | C6H9NO |
| Exact Mass | 111.068414 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Bp8bX7rcfqn |
|---|---|
| Name | (E)-4-Methoxy-2-methyl-2-butenenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 111.068413913 u |
| Formula | C6H9NO |
| InChI | InChI=1S/C6H9NO/c1-6(5-7)3-4-8-2/h3H,4H2,1-2H3/b6-3+ |
| InChIKey | XAOJOTMABLRVQP-ZZXKWVIFSA-N |
| Molecular Weight | 111.144 g/mol |
| SMILES | C(#N)\C(=C\COC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934056 |