| SpectraBase Compound ID | HK9mZwCuEmn |
|---|---|
| InChI | InChI=1S/C7H11NO2/c1-7(3-2-4-8)9-5-6-10-7/h2-3,5-6H2,1H3 |
| InChIKey | WAKYIWZYFCUCSG-UHFFFAOYSA-N |
| Mol Weight | 141.17 g/mol |
| Molecular Formula | C7H11NO2 |
| Exact Mass | 141.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1O2erEQNY8i |
|---|---|
| Name | 4,4-Ethylenedioxy-pentanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 141.078978596 u |
| Formula | C7H11NO2 |
| InChI | InChI=1S/C7H11NO2/c1-7(3-2-4-8)9-5-6-10-7/h2-3,5-6H2,1H3 |
| InChIKey | WAKYIWZYFCUCSG-UHFFFAOYSA-N |
| SMILES | C1COC(O1)(CCC#N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.850817 |