| SpectraBase Compound ID | 5MulIGAY06o |
|---|---|
| InChI | InChI=1S/C10H8BrF3O/c11-8-3-1-2-7(6-8)4-5-9(15)10(12,13)14/h1-6,9,15H/b5-4+ |
| InChIKey | MHSSNQVRPQMNDD-SNAWJCMRSA-N |
| Mol Weight | 281.07 g/mol |
| Molecular Formula | C10H8BrF3O |
| Exact Mass | 279.971062 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7MMZ8GIlfII |
|---|---|
| Name | 1,1,1-Trifluoro-4-(3-bromophenyl)but-3-en-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.971062366 u |
| Formula | C10H8BrF3O |
| InChI | InChI=1S/C10H8BrF3O/c11-8-3-1-2-7(6-8)4-5-9(15)10(12,13)14/h1-6,9,15H/b5-4+ |
| InChIKey | MHSSNQVRPQMNDD-SNAWJCMRSA-N |
| Molecular Weight | 281.072 g/mol |
| SMILES | C(C(\C=C\C=1C=C(Br)C=CC1)O)(F)(F)F |