| SpectraBase Compound ID | CriQ4Byn3Wx |
|---|---|
| InChI | InChI=1S/C10H17NO/c1-3-10(4-2)7-5-6-9(8-11)12-10/h9H,3-7H2,1-2H3 |
| InChIKey | FKYWORSPNQMVLW-UHFFFAOYSA-N |
| Mol Weight | 167.25 g/mol |
| Molecular Formula | C10H17NO |
| Exact Mass | 167.131014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LmpR1j1DgT9 |
|---|---|
| Name | 6,6-Diethyl-2-oxanecarbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.131014170 u |
| Formula | C10H17NO |
| InChI | InChI=1S/C10H17NO/c1-3-10(4-2)7-5-6-9(8-11)12-10/h9H,3-7H2,1-2H3 |
| InChIKey | FKYWORSPNQMVLW-UHFFFAOYSA-N |
| Molecular Weight | 167.252 g/mol |
| SMILES | C(#N)C1OC(CC)(CC)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845986 |