| SpectraBase Compound ID | 1IZVLDUDraS |
|---|---|
| InChI | InChI=1S/C7H11NO/c1-7(3-2-5-8)4-6-9-7/h2-4,6H2,1H3 |
| InChIKey | MAPSOKSZSMBROX-UHFFFAOYSA-N |
| Mol Weight | 125.17 g/mol |
| Molecular Formula | C7H11NO |
| Exact Mass | 125.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C5DgnMzPTjF |
|---|---|
| Name | 2-Oxetanepropanenitrile, 2-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 125.084063977 u |
| Formula | C7H11NO |
| InChI | InChI=1S/C7H11NO/c1-7(3-2-5-8)4-6-9-7/h2-4,6H2,1H3 |
| InChIKey | MAPSOKSZSMBROX-UHFFFAOYSA-N |
| Molecular Weight | 125.171 g/mol |
| SMILES | C(#N)CCC1(OCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.838197 |