| SpectraBase Compound ID | DaElVARAIvJ |
|---|---|
| InChI | InChI=1S/C7H11NO2/c8-4-2-1-3-7-9-5-6-10-7/h7H,1-3,5-6H2 |
| InChIKey | NBRSDWNELZJQTN-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 | E5rtbfC7zJf |
|---|---|
| Name | 4-(1,3-Dioxolan-2-yl)butanenitrile |
| 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/c8-4-2-1-3-7-9-5-6-10-7/h7H,1-3,5-6H2 |
| InChIKey | NBRSDWNELZJQTN-UHFFFAOYSA-N |
| SMILES | C(#N)CCCC1OCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912163 |