| SpectraBase Compound ID | 3rAJ9dUZAtL |
|---|---|
| InChI | InChI=1S/C9H9Br3O2/c1-13-6-3-5(4-10)7(11)9(14-2)8(6)12/h3H,4H2,1-2H3 |
| InChIKey | FENKPAAYUMJZPF-UHFFFAOYSA-N |
| Mol Weight | 388.88 g/mol |
| Molecular Formula | C9H9Br3O2 |
| Exact Mass | 385.815269 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HRS3eZrQzmi |
|---|---|
| Name | 3,5-Dimethoxy-alpha,2,4-tribromotoluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 385.815268528 u |
| Formula | C9H9Br3O2 |
| InChI | InChI=1S/C9H9Br3O2/c1-13-6-3-5(4-10)7(11)9(14-2)8(6)12/h3H,4H2,1-2H3 |
| InChIKey | FENKPAAYUMJZPF-UHFFFAOYSA-N |
| Molecular Weight | 388.881 g/mol |
| SMILES | C=1C(=C(C(=C(C1OC)Br)OC)Br)CBr |
| Spectrum/Structure Validation Score (Raman) | 0.735422 |