| SpectraBase Compound ID | HOH3cobdbZg |
|---|---|
| InChI | InChI=1S/C7H3Br3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12) |
| InChIKey | UDZOUVAHFWHQEL-UHFFFAOYSA-N |
| Mol Weight | 358.81 g/mol |
| Molecular Formula | C7H3Br3O2 |
| Exact Mass | 355.768318 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4Ek0o4xHAa9 |
|---|---|
| Name | Benzoic acid, 3,4,5-tribromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.768318335 u |
| Formula | C7H3Br3O2 |
| InChI | InChI=1S/C7H3Br3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12) |
| InChIKey | UDZOUVAHFWHQEL-UHFFFAOYSA-N |
| Molecular Weight | 358.811 g/mol |
| SMILES | C1(=C(C=C(C=C1Br)C(O)=O)Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940934 |