| SpectraBase Compound ID | KVvmr0QHvgC |
|---|---|
| InChI | InChI=1S/C7H11F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h5-6,11H,1-4H2 |
| InChIKey | BGAGPUHWVOHHTP-UHFFFAOYSA-N |
| Mol Weight | 168.16 g/mol |
| Molecular Formula | C7H11F3O |
| Exact Mass | 168.076199 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HaEpc6RP0T |
|---|---|
| Name | Cyclohexanol, 2-(trifluoromethyl)-; trans-trans-2-(trifluoromethyl)cyclohexanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.076199462 u |
| Formula | C7H11F3O |
| InChI | InChI=1S/C7H11F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h5-6,11H,1-4H2 |
| InChIKey | BGAGPUHWVOHHTP-UHFFFAOYSA-N |
| Molecular Weight | 168.159 g/mol |
| SMILES | OC1CCCCC1C(F)(F)F |
| Spectrum/Structure Validation Score (Raman) | 0.74596 |