| SpectraBase Compound ID | 6A9Xfn69AqM |
|---|---|
| InChI | InChI=1S/C7H12F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h5-6H,1-4,11H2 |
| InChIKey | KHKJUJGNSSJMED-UHFFFAOYSA-N |
| Mol Weight | 167.18 g/mol |
| Molecular Formula | C7H12F3N |
| Exact Mass | 167.092184 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FR3foiPWJAI |
|---|---|
| Name | Cyclohexanamine, 2-(trifluoromethyl)-; cyclohexylamine 2-trifluoromethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.092183879 u |
| Formula | C7H12F3N |
| InChI | InChI=1S/C7H12F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h5-6H,1-4,11H2 |
| InChIKey | KHKJUJGNSSJMED-UHFFFAOYSA-N |
| Molecular Weight | 167.175 g/mol |
| SMILES | NC1CCCCC1C(F)(F)F |
| Spectrum/Structure Validation Score (Raman) | 0.840447 |