| SpectraBase Compound ID | C0uEkrC43J5 |
|---|---|
| InChI | InChI=1S/C5H7NO/c6-4-2-1-3-5-7/h1-2,7H,3,5H2/b2-1+ |
| InChIKey | HIHLTZWMAUOGHM-OWOJBTEDSA-N |
| Mol Weight | 97.12 g/mol |
| Molecular Formula | C5H7NO |
| Exact Mass | 97.052764 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E2WTVx08s2q |
|---|---|
| Name | 2-Pentenenitrile, 5-hydroxy-, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 97.052763848 u |
| Formula | C5H7NO |
| InChI | InChI=1S/C5H7NO/c6-4-2-1-3-5-7/h1-2,7H,3,5H2/b2-1+ |
| InChIKey | HIHLTZWMAUOGHM-OWOJBTEDSA-N |
| Molecular Weight | 97.117 g/mol |
| SMILES | C(\C=C\C#N)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954999 |