| SpectraBase Compound ID | IBjsbICyGzq |
|---|---|
| InChI | InChI=1S/C10H6BrF5O2/c11-7-3-1-6(2-4-7)5-18-8(17)9(12,13)10(14,15)16/h1-4H,5H2 |
| InChIKey | QKXWGASKQLFKSW-UHFFFAOYSA-N |
| Mol Weight | 333.05 g/mol |
| Molecular Formula | C10H6BrF5O2 |
| Exact Mass | 331.947133 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IVPq97iIC8a |
|---|---|
| Name | 4-Bromobenzyl alcohol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.947133246 u |
| Formula | C10H6BrF5O2 |
| InChI | InChI=1S/C10H6BrF5O2/c11-7-3-1-6(2-4-7)5-18-8(17)9(12,13)10(14,15)16/h1-4H,5H2 |
| InChIKey | QKXWGASKQLFKSW-UHFFFAOYSA-N |
| Molecular Weight | 333.052 g/mol |
| SMILES | C1=CC(=CC=C1COC(C(C(F)(F)F)(F)F)=O)Br |