| SpectraBase Compound ID | JZNlxijsNAc |
|---|---|
| InChI | InChI=1S/C7H9NO2/c1-7(9)10-6-4-2-3-5-8/h2,4H,3,6H2,1H3/b4-2+ |
| InChIKey | WGNRSWKYHBGEFI-DUXPYHPUSA-N |
| Mol Weight | 139.15 g/mol |
| Molecular Formula | C7H9NO2 |
| Exact Mass | 139.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DaNgbtWnmGf |
|---|---|
| Name | 5-Acetoxy-3-pentenenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.063328532 u |
| Formula | C7H9NO2 |
| InChI | InChI=1S/C7H9NO2/c1-7(9)10-6-4-2-3-5-8/h2,4H,3,6H2,1H3/b4-2+ |
| InChIKey | WGNRSWKYHBGEFI-DUXPYHPUSA-N |
| Molecular Weight | 139.154 g/mol |
| SMILES | C(#N)C\C=C\COC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92701 |