| SpectraBase Compound ID | 1u8chYYX9ZD |
|---|---|
| InChI | InChI=1S/C12H8F6O4/c1-2-6-3-4-7(21-9(19)11(13,14)15)5-8(6)22-10(20)12(16,17)18/h3-5H,2H2,1H3 |
| InChIKey | GQXMVJWWZVUWMF-UHFFFAOYSA-N |
| Mol Weight | 330.18 g/mol |
| Molecular Formula | C12H8F6O4 |
| Exact Mass | 330.032678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HDHWGJ9oypl |
|---|---|
| Name | 2,4-Dihydroxyethylbenzene, trifluoroacetate ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.032677712 u |
| Formula | C12H8F6O4 |
| InChI | InChI=1S/C12H8F6O4/c1-2-6-3-4-7(21-9(19)11(13,14)15)5-8(6)22-10(20)12(16,17)18/h3-5H,2H2,1H3 |
| InChIKey | GQXMVJWWZVUWMF-UHFFFAOYSA-N |
| Molecular Weight | 330.182 g/mol |
| SMILES | C1=C(C(=CC=C1OC(C(F)(F)F)=O)CC)OC(C(F)(F)F)=O |