| SpectraBase Compound ID | DNWzZgi9vNP |
|---|---|
| InChI | InChI=1S/C12H14F6O4/c13-11(14,15)9(19)21-5-7-1-2-8(4-3-7)6-22-10(20)12(16,17)18/h7-8H,1-6H2 |
| InChIKey | NVHYNSXZSJUVCF-UHFFFAOYSA-N |
| Mol Weight | 336.23 g/mol |
| Molecular Formula | C12H14F6O4 |
| Exact Mass | 336.079628 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ZabaAWPJHi |
|---|---|
| Name | Trans-1,4-cyclohexanedimethanol, bis(trifluoroacetate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.079627905 u |
| Formula | C12H14F6O4 |
| InChI | InChI=1S/C12H14F6O4/c13-11(14,15)9(19)21-5-7-1-2-8(4-3-7)6-22-10(20)12(16,17)18/h7-8H,1-6H2 |
| InChIKey | NVHYNSXZSJUVCF-UHFFFAOYSA-N |
| Molecular Weight | 336.230 g/mol |
| SMILES | C1(CCC(CC1)COC(=O)C(F)(F)F)COC(=O)C(F)(F)F |