| SpectraBase Compound ID | EcVN0F626nt |
|---|---|
| InChI | InChI=1S/C8H11NO/c9-6-5-7-3-1-2-4-8(7)10/h7H,1-5H2/t7-/m1/s1 |
| InChIKey | NDKUZEVDMZDUGK-SSDOTTSWSA-N |
| Mol Weight | 137.18 g/mol |
| Molecular Formula | C8H11NO |
| Exact Mass | 137.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1il5oWCRqtB |
|---|---|
| Name | (R)-(2-oxo-Cyclohexyl)-ethane-nitrile |
| 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/c9-6-5-7-3-1-2-4-8(7)10/h7H,1-5H2/t7-/m1/s1 |
| InChIKey | NDKUZEVDMZDUGK-SSDOTTSWSA-N |
| Molecular Weight | 137.182 g/mol |
| SMILES | C(C#N)[C@@]1(C(=O)CCCC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927317 |