| SpectraBase Compound ID | 9xPO4z4uq6u |
|---|---|
| InChI | InChI=1S/C8H6BrIO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3 |
| InChIKey | WUSQONUPNHFBOU-UHFFFAOYSA-N |
| Mol Weight | 340.94 g/mol |
| Molecular Formula | C8H6BrIO2 |
| Exact Mass | 339.859587 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HYgNeE3AibV |
|---|---|
| Name | 3-Bromo-5-iodobenzoic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.859587431 u |
| Formula | C8H6BrIO2 |
| InChI | InChI=1S/C8H6BrIO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3 |
| InChIKey | WUSQONUPNHFBOU-UHFFFAOYSA-N |
| Molecular Weight | 340.942 g/mol |
| SMILES | C(C1=CC(=CC(=C1)I)Br)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925484 |