| SpectraBase Compound ID | 6WnfbxWfxvY |
|---|---|
| InChI | InChI=1S/C8H11NO/c1-8(6-9)4-2-7(10)3-5-8/h2-5H2,1H3 |
| InChIKey | DDSBNJVJUCCGNO-UHFFFAOYSA-N |
| Mol Weight | 137.18 g/mol |
| Molecular Formula | C8H11NO |
| Exact Mass | 137.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IJAxpfJPRS1 |
|---|---|
| Name | 1-Methyl-4-oxidanylidene-cyclohexane-1-carbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 137.084063977 u |
| Formula | C8H11NO |
| InChI | InChI=1S/C8H11NO/c1-8(6-9)4-2-7(10)3-5-8/h2-5H2,1H3 |
| InChIKey | DDSBNJVJUCCGNO-UHFFFAOYSA-N |
| Molecular Weight | 137.182 g/mol |
| SMILES | C1(CCC(CC1)(C#N)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985134 |