| SpectraBase Compound ID | 65Nih6u91v4 |
|---|---|
| InChI | InChI=1S/C9H6BrClF2O2/c10-7-3-1-2-6(4-7)5-15-8(14)9(11,12)13/h1-4H,5H2 |
| InChIKey | OKFQECOLCLDSEW-UHFFFAOYSA-N |
| Mol Weight | 299.5 g/mol |
| Molecular Formula | C9H6BrClF2O2 |
| Exact Mass | 297.920776 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | I51KHVDMcbi |
|---|---|
| Name | 3-Bromobenzyl alcohol, chlorodifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.920776457 u |
| Formula | C9H6BrClF2O2 |
| InChI | InChI=1S/C9H6BrClF2O2/c10-7-3-1-2-6(4-7)5-15-8(14)9(11,12)13/h1-4H,5H2 |
| InChIKey | OKFQECOLCLDSEW-UHFFFAOYSA-N |
| Molecular Weight | 299.499 g/mol |
| SMILES | C1(=CC(=CC=C1)Br)COC(C(F)(F)Cl)=O |