| SpectraBase Compound ID | 7EU6ZsVZjbC |
|---|---|
| InChI | InChI=1S/C15H25NO/c16-13-9-11-14-10-7-5-3-1-2-4-6-8-12-15(14)17/h14H,1-12H2 |
| InChIKey | ODLPPPHRABBMTF-UHFFFAOYSA-N |
| Mol Weight | 235.37 g/mol |
| Molecular Formula | C15H25NO |
| Exact Mass | 235.193614 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KivcRnbunED |
|---|---|
| Name | Cyclododecanepropanenitrile, 2-oxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.193614428 u |
| Formula | C15H25NO |
| InChI | InChI=1S/C15H25NO/c16-13-9-11-14-10-7-5-3-1-2-4-6-8-12-15(14)17/h14H,1-12H2 |
| InChIKey | ODLPPPHRABBMTF-UHFFFAOYSA-N |
| Molecular Weight | 235.371 g/mol |
| SMILES | C(#N)CCC1C(=O)CCCCCCCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.860054 |