| SpectraBase Compound ID | ICsalGibUxL |
|---|---|
| InChI | InChI=1S/C9H2Br3F5O2/c10-3-1-4(11)6(5(12)2-3)19-7(18)8(13,14)9(15,16)17/h1-2H |
| InChIKey | KYPQIWBUDHLSDS-UHFFFAOYSA-N |
| Mol Weight | 476.82 g/mol |
| Molecular Formula | C9H2Br3F5O2 |
| Exact Mass | 473.752509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GVTlhLGl0bo |
|---|---|
| Name | 2,4,6-Tribromophenol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 473.752509117 u |
| Formula | C9H2Br3F5O2 |
| InChI | InChI=1S/C9H2Br3F5O2/c10-3-1-4(11)6(5(12)2-3)19-7(18)8(13,14)9(15,16)17/h1-2H |
| InChIKey | KYPQIWBUDHLSDS-UHFFFAOYSA-N |
| Molecular Weight | 476.817 g/mol |
| SMILES | C1(OC(C(C(F)(F)F)(F)F)=O)=C(C=C(C=C1Br)Br)Br |