| SpectraBase Compound ID | CtyGxpjeka6 |
|---|---|
| InChI | InChI=1S/C15H20FNO/c1-2-15(16)11-7-6-10-13(15)17-14(18)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3,(H,17,18)/t13-,15+/m1/s1 |
| InChIKey | BCVPVWWCWJHUCO-HIFRSBDPSA-N |
| Mol Weight | 249.33 g/mol |
| Molecular Formula | C15H20FNO |
| Exact Mass | 249.152892 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KTBSPiVbEN5 |
|---|---|
| Name | Trans-N-benzoyl-2-fluoro-2-ethylcyclohexylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.152892430 u |
| Formula | C15H20FNO |
| InChI | InChI=1S/C15H20FNO/c1-2-15(16)11-7-6-10-13(15)17-14(18)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3,(H,17,18)/t13-,15+/m1/s1 |
| InChIKey | BCVPVWWCWJHUCO-HIFRSBDPSA-N |
| Molecular Weight | 249.329 g/mol |
| SMILES | C(N[C@]1([C@](F)(CC)CCCC1)[H])(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889007 |