| SpectraBase Compound ID | 9NNxeQbjQ1z |
|---|---|
| InChI | InChI=1S/C8H7F3O4/c9-8(10,11)7(12)15-5-3-14-4-1-2-13-6(4)5/h1-2,4-6H,3H2 |
| InChIKey | FLRHIPSTQQZNJR-UHFFFAOYSA-N |
| Mol Weight | 224.14 g/mol |
| Molecular Formula | C8H7F3O4 |
| Exact Mass | 224.029643 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1LmJ9LkaXmA |
|---|---|
| Name | 1,4:3,6-Dianhydro-5-deoxy-2-o-(trifluoroacetyl)-D-xylo-hex-5-enitol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.029643190 u |
| Formula | C8H7F3O4 |
| InChI | InChI=1S/C8H7F3O4/c9-8(10,11)7(12)15-5-3-14-4-1-2-13-6(4)5/h1-2,4-6H,3H2 |
| InChIKey | FLRHIPSTQQZNJR-UHFFFAOYSA-N |
| Molecular Weight | 224.135 g/mol |
| SMILES | C1C(C2OC=CC2O1)OC(C(F)(F)F)=O |