| SpectraBase Compound ID | BRMtigbOudr |
|---|---|
| InChI | InChI=1S/C12H19NO/c13-10-11-6-3-1-2-4-8-12(14)9-5-7-11/h11H,1-9H2 |
| InChIKey | JWFKWVXIPULPBA-UHFFFAOYSA-N |
| Mol Weight | 193.29 g/mol |
| Molecular Formula | C12H19NO |
| Exact Mass | 193.146664 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BObH50BXSP7 |
|---|---|
| Name | Cycloundecanecarbonitrile, 5-oxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.146664235 u |
| Formula | C12H19NO |
| InChI | InChI=1S/C12H19NO/c13-10-11-6-3-1-2-4-8-12(14)9-5-7-11/h11H,1-9H2 |
| InChIKey | JWFKWVXIPULPBA-UHFFFAOYSA-N |
| Molecular Weight | 193.290 g/mol |
| SMILES | C(#N)C1CCCC(=O)CCCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956504 |