| SpectraBase Compound ID | 3GyWWRfiOBE |
|---|---|
| InChI | InChI=1S/C14H12F6O4/c1-12(2,3)8-6-7(23-10(21)13(15,16)17)4-5-9(8)24-11(22)14(18,19)20/h4-6H,1-3H3 |
| InChIKey | CTZDNDHGYDWJGW-UHFFFAOYSA-N |
| Mol Weight | 358.24 g/mol |
| Molecular Formula | C14H12F6O4 |
| Exact Mass | 358.063978 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BvP694neshL |
|---|---|
| Name | Tert-butylhydroquinone, bis(trifluoroacetate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.063977840 u |
| Formula | C14H12F6O4 |
| InChI | InChI=1S/C14H12F6O4/c1-12(2,3)8-6-7(23-10(21)13(15,16)17)4-5-9(8)24-11(22)14(18,19)20/h4-6H,1-3H3 |
| InChIKey | CTZDNDHGYDWJGW-UHFFFAOYSA-N |
| Molecular Weight | 358.236 g/mol |
| SMILES | C1(=CC(=CC=C1OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)C(C)(C)C |