| SpectraBase Compound ID | 2eJFX05Ts9 |
|---|---|
| InChI | InChI=1S/C6H9NO/c7-4-2-1-3-6-5-8-6/h6H,1-3,5H2/t6-/m0/s1 |
| InChIKey | YBLGVWROEYBQBC-LURJTMIESA-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 | 7Hote2tFJPS |
|---|---|
| Name | (S)-4-Oxiran-2-ylbutanenitrile |
| 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/c7-4-2-1-3-6-5-8-6/h6H,1-3,5H2/t6-/m0/s1 |
| InChIKey | YBLGVWROEYBQBC-LURJTMIESA-N |
| Molecular Weight | 111.144 g/mol |
| SMILES | C(CCC[C@@]1(OC1)[H])#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937577 |