| SpectraBase Compound ID | LZr4OUD0gWw |
|---|---|
| InChI | InChI=1S/C9H15NO2/c1-8(2)6-11-9(3,4)12-7(8)5-10/h7H,6H2,1-4H3 |
| InChIKey | NLTTYXXPMPWTEP-UHFFFAOYSA-N |
| Mol Weight | 169.22 g/mol |
| Molecular Formula | C9H15NO2 |
| Exact Mass | 169.110279 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GKN3p4fU8zF |
|---|---|
| Name | 2,2,5,5-Tetramethyl-1,3-dioxane-4-carbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.110278725 u |
| Formula | C9H15NO2 |
| InChI | InChI=1S/C9H15NO2/c1-8(2)6-11-9(3,4)12-7(8)5-10/h7H,6H2,1-4H3 |
| InChIKey | NLTTYXXPMPWTEP-UHFFFAOYSA-N |
| Molecular Weight | 169.224 g/mol |
| SMILES | C1(OC(C(CO1)(C)C)C#N)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94609 |