| SpectraBase Compound ID | JhwQuPbv8nE |
|---|---|
| InChI | InChI=1S/C12H7Br3O/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H |
| InChIKey | UPNBETHEXPIWQX-UHFFFAOYSA-N |
| Mol Weight | 406.9 g/mol |
| Molecular Formula | C12H7Br3O |
| Exact Mass | 403.804704 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 | IHYWbXzacc8 |
|---|---|
| Name | 2,4-Dibromo-1-(4-bromophenoxy)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 403.804703844 u |
| Formula | C12H7Br3O |
| InChI | InChI=1S/C12H7Br3O/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H |
| InChIKey | UPNBETHEXPIWQX-UHFFFAOYSA-N |
| Molecular Weight | 406.899 g/mol |
| SMILES | C1(Br)=CC(Br)=CC=C1OC1=CC=C(Br)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930049 |