| SpectraBase Compound ID | JqSKJW68omj |
|---|---|
| InChI | InChI=1S/C10H5F7O3/c11-8(12,9(13,14)10(15,16)17)7(19)20-6-4-2-1-3-5(6)18/h1-4,18H |
| InChIKey | SKPBYHQAMFQHRU-UHFFFAOYSA-N |
| Mol Weight | 306.14 g/mol |
| Molecular Formula | C10H5F7O3 |
| Exact Mass | 306.012691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9I5YSBqhM8P |
|---|---|
| Name | 1,2-Benzenediol, o-(2,2,3,3,4,4,4-heptafluorobutyryl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.012691159 u |
| Formula | C10H5F7O3 |
| InChI | InChI=1S/C10H5F7O3/c11-8(12,9(13,14)10(15,16)17)7(19)20-6-4-2-1-3-5(6)18/h1-4,18H |
| InChIKey | SKPBYHQAMFQHRU-UHFFFAOYSA-N |
| Molecular Weight | 306.136 g/mol |
| SMILES | C1(=CC=CC=C1O)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |