| SpectraBase Compound ID | KQ19nESJjgP |
|---|---|
| InChI | InChI=1S/C13H14Br2F2O2/c14-5-3-1-2-4-13(18)19-8-10-11(16)6-9(15)7-12(10)17/h6-7H,1-5,8H2 |
| InChIKey | IWHVYEJXXMWVNL-UHFFFAOYSA-N |
| Mol Weight | 400.06 g/mol |
| Molecular Formula | C13H14Br2F2O2 |
| Exact Mass | 397.932862 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EMf2DvoOVqc |
|---|---|
| Name | 6-Bromocaproic acid, 2,6-difluoro-4-bromophenyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H14Br2F2O2 |
| InChI | InChI=1S/C13H14Br2F2O2/c14-5-3-1-2-4-13(18)19-8-10-11(16)6-9(15)7-12(10)17/h6-7H,1-5,8H2 |
| InChIKey | IWHVYEJXXMWVNL-UHFFFAOYSA-N |
| Molecular Weight | 400.058 g/mol |
| SMILES | C(CCCCCBr)(OCc1c(cc(cc1F)Br)F)=O |
| SPLASH | splash10-0a4i-5690000000-116bb654c7c192ffeab5 |
| Source of Spectrum | TIPS-2023-88-0 |
| Wiley ID | 1884796 |