| SpectraBase Compound ID | FNXCviNHcqr |
|---|---|
| InChI | InChI=1S/C9H8Br2O3/c1-2-14-9(13)6-3-5(10)4-7(11)8(6)12/h3-4,12H,2H2,1H3 |
| InChIKey | IUGARHWWGXSQCH-UHFFFAOYSA-N |
| Mol Weight | 323.97 g/mol |
| Molecular Formula | C9H8Br2O3 |
| Exact Mass | 321.88402 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 | 8NG2F43XaJX |
|---|---|
| Name | 3,5-Dibromo-2-hydroxy-benzoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.884020115 u |
| Formula | C9H8Br2O3 |
| InChI | InChI=1S/C9H8Br2O3/c1-2-14-9(13)6-3-5(10)4-7(11)8(6)12/h3-4,12H,2H2,1H3 |
| InChIKey | IUGARHWWGXSQCH-UHFFFAOYSA-N |
| Molecular Weight | 323.968 g/mol |
| SMILES | C=1(C(=C(Br)C=C(C1)Br)O)C(=O)OCC |