| SpectraBase Compound ID | 4YH9wCpLQgs |
|---|---|
| InChI | InChI=1S/C11H7F7O3/c1-20-6-4-2-3-5-7(6)21-8(19)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3 |
| InChIKey | CYKUGBBGPBVNEU-UHFFFAOYSA-N |
| Mol Weight | 320.16 g/mol |
| Molecular Formula | C11H7F7O3 |
| Exact Mass | 320.028341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DZgfi1uCatd |
|---|---|
| Name | Guaiacol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.028341223 u |
| Formula | C11H7F7O3 |
| InChI | InChI=1S/C11H7F7O3/c1-20-6-4-2-3-5-7(6)21-8(19)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3 |
| InChIKey | CYKUGBBGPBVNEU-UHFFFAOYSA-N |
| Molecular Weight | 320.163 g/mol |
| SMILES | C1(=CC=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC |