| SpectraBase Compound ID | 4ozFw4hOE2H |
|---|---|
| InChI | InChI=1S/C10H8BrF3O3/c11-7-1-3-8(4-2-7)16-5-6-17-9(15)10(12,13)14/h1-4H,5-6H2 |
| InChIKey | RLQWXVFXZUVKMW-UHFFFAOYSA-N |
| Mol Weight | 313.07 g/mol |
| Molecular Formula | C10H8BrF3O3 |
| Exact Mass | 311.960892 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1rbrH2OFscT |
|---|---|
| Name | 2-(4-Bromophenoxy)ethanol, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.960891604 u |
| Formula | C10H8BrF3O3 |
| InChI | InChI=1S/C10H8BrF3O3/c11-7-1-3-8(4-2-7)16-5-6-17-9(15)10(12,13)14/h1-4H,5-6H2 |
| InChIKey | RLQWXVFXZUVKMW-UHFFFAOYSA-N |
| Molecular Weight | 313.070 g/mol |
| SMILES | C1(=CC=C(C=C1)Br)OCCOC(C(F)(F)F)=O |