| SpectraBase Compound ID | 2IbIVyPiJTU |
|---|---|
| InChI | InChI=1S/C9H13F3O2/c1-6-4-2-3-5-7(6)14-8(13)9(10,11)12/h6-7H,2-5H2,1H3 |
| InChIKey | KHSYGJUQMPGTQS-UHFFFAOYSA-N |
| Mol Weight | 210.2 g/mol |
| Molecular Formula | C9H13F3O2 |
| Exact Mass | 210.086764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FwwZWSmeUC8 |
|---|---|
| Name | 1-Methyl-2-trifluoroacetoxycyclohexane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.086764146 u |
| Formula | C9H13F3O2 |
| InChI | InChI=1S/C9H13F3O2/c1-6-4-2-3-5-7(6)14-8(13)9(10,11)12/h6-7H,2-5H2,1H3 |
| InChIKey | KHSYGJUQMPGTQS-UHFFFAOYSA-N |
| Molecular Weight | 210.196 g/mol |
| SMILES | C1(CCCCC1OC(C(F)(F)F)=O)C |