| SpectraBase Compound ID | 1Bb6y20Yn9m |
|---|---|
| InChI | InChI=1S/C13H8F6O6/c14-12(15,16)10(22)24-7-3-1-6(2-4-9(20)21)5-8(7)25-11(23)13(17,18)19/h1,3,5H,2,4H2,(H,20,21) |
| InChIKey | YZIBBKWCHNPKMB-UHFFFAOYSA-N |
| Mol Weight | 374.19 g/mol |
| Molecular Formula | C13H8F6O6 |
| Exact Mass | 374.022507 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Hs5oYUP7hJ |
|---|---|
| Name | 3,4-di(Trifluoroacetyloxy)hydrocinnamic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.022506950 u |
| Formula | C13H8F6O6 |
| InChI | InChI=1S/C13H8F6O6/c14-12(15,16)10(22)24-7-3-1-6(2-4-9(20)21)5-8(7)25-11(23)13(17,18)19/h1,3,5H,2,4H2,(H,20,21) |
| InChIKey | YZIBBKWCHNPKMB-UHFFFAOYSA-N |
| Molecular Weight | 374.191 g/mol |
| SMILES | C1(=C(C=CC(=C1)CCC(=O)O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O |