| SpectraBase Compound ID | FqqfTSnspiR |
|---|---|
| InChI | InChI=1S/C11H8BrF5O3/c12-7-1-3-8(4-2-7)19-5-6-20-9(18)10(13,14)11(15,16)17/h1-4H,5-6H2 |
| InChIKey | MEOQIVDGYKQLBJ-UHFFFAOYSA-N |
| Mol Weight | 363.08 g/mol |
| Molecular Formula | C11H8BrF5O3 |
| Exact Mass | 361.957698 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IArUgtAJ2iJ |
|---|---|
| Name | 2-(4-Bromophenoxy)ethanol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.957697930 u |
| Formula | C11H8BrF5O3 |
| InChI | InChI=1S/C11H8BrF5O3/c12-7-1-3-8(4-2-7)19-5-6-20-9(18)10(13,14)11(15,16)17/h1-4H,5-6H2 |
| InChIKey | MEOQIVDGYKQLBJ-UHFFFAOYSA-N |
| Molecular Weight | 363.078 g/mol |
| SMILES | C1(=CC=C(C=C1)Br)OCCOC(C(C(F)(F)F)(F)F)=O |