| SpectraBase Compound ID | GCn4ETCgdIJ |
|---|---|
| InChI | InChI=1S/C9H9BrO4/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4H,1-2H3,(H,11,12) |
| InChIKey | ZODURELBYVOPGP-UHFFFAOYSA-N |
| Mol Weight | 261.07 g/mol |
| Molecular Formula | C9H9BrO4 |
| Exact Mass | 259.968422 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2NZvNurSzpX |
|---|---|
| Name | Benzoic acid, 3-bromo-4,5-dimethoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.968421766 u |
| Formula | C9H9BrO4 |
| InChI | InChI=1S/C9H9BrO4/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4H,1-2H3,(H,11,12) |
| InChIKey | ZODURELBYVOPGP-UHFFFAOYSA-N |
| Molecular Weight | 261.071 g/mol |
| SMILES | C1=C(C=C(C(=C1Br)OC)OC)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919488 |