| SpectraBase Compound ID | LdiA1BTIStu |
|---|---|
| InChI | InChI=1S/C9H13ClF2O2/c1-6-4-2-3-5-7(6)14-8(13)9(10,11)12/h6-7H,2-5H2,1H3 |
| InChIKey | LBNMIKAZVLVNGN-UHFFFAOYSA-N |
| Mol Weight | 226.65 g/mol |
| Molecular Formula | C9H13ClF2O2 |
| Exact Mass | 226.057214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fv8Q7BPx1Zf |
|---|---|
| Name | Trans-2-methylcyclohexanol, chlorodifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.057213683 u |
| Formula | C9H13ClF2O2 |
| InChI | InChI=1S/C9H13ClF2O2/c1-6-4-2-3-5-7(6)14-8(13)9(10,11)12/h6-7H,2-5H2,1H3 |
| InChIKey | LBNMIKAZVLVNGN-UHFFFAOYSA-N |
| Molecular Weight | 226.651 g/mol |
| SMILES | C1(C(CCCC1)C)OC(C(F)(F)Cl)=O |