| SpectraBase Compound ID | GLIbNpCAlb |
|---|---|
| InChI | InChI=1S/C10H13F3O2/c1-7-2-4-8(5-3-7)9(14)15-6-10(11,12)13/h2,8H,3-6H2,1H3/t8-/m0/s1 |
| InChIKey | COBZCLJLIDCNBV-QMMMGPOBSA-N |
| Mol Weight | 222.21 g/mol |
| Molecular Formula | C10H13F3O2 |
| Exact Mass | 222.086764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AqvCo3m78xX |
|---|---|
| Name | (1R)-4-Methyl-cyclohex-3-enecarboxylic-acid-2,2,2-trifluoro-ethylester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.086764146 u |
| Formula | C10H13F3O2 |
| InChI | InChI=1S/C10H13F3O2/c1-7-2-4-8(5-3-7)9(14)15-6-10(11,12)13/h2,8H,3-6H2,1H3/t8-/m0/s1 |
| InChIKey | COBZCLJLIDCNBV-QMMMGPOBSA-N |
| Molecular Weight | 222.207 g/mol |
| SMILES | C(=O)([C@]1(CC=C(C)CC1)[H])OCC(F)(F)F |