| SpectraBase Compound ID | JGNoWeChcPg |
|---|---|
| InChI | InChI=1S/C7H11NO/c1-7(2,6-9)4-3-5-8/h6H,3-4H2,1-2H3 |
| InChIKey | HKJVKIURQSVEQB-UHFFFAOYSA-N |
| Mol Weight | 125.17 g/mol |
| Molecular Formula | C7H11NO |
| Exact Mass | 125.084064 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | L88E08RHacd |
|---|---|
| Name | 4-Cyano-2,2-dimethylbutyraldehyde |
| 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(2,6-9)4-3-5-8/h6H,3-4H2,1-2H3 |
| InChIKey | HKJVKIURQSVEQB-UHFFFAOYSA-N |
| Molecular Weight | 125.171 g/mol |
| SMILES | C(C#N)CC(C=O)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.964961 |