| SpectraBase Compound ID | 8xiCjFsEYjv |
|---|---|
| InChI | InChI=1S/C12H7Br3/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h1-7H |
| InChIKey | IYDNWMCMGNRWET-UHFFFAOYSA-N |
| Mol Weight | 390.9 g/mol |
| Molecular Formula | C12H7Br3 |
| Exact Mass | 387.809789 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1qjJTMQWAhk |
|---|---|
| Name | 1,4-Dibromo-2-(2-bromophenyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 387.809789225 u |
| Formula | C12H7Br3 |
| InChI | InChI=1S/C12H7Br3/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h1-7H |
| InChIKey | IYDNWMCMGNRWET-UHFFFAOYSA-N |
| Molecular Weight | 390.900 g/mol |
| SMILES | C1(Br)=C(C=C(C=C1)Br)C1=C(C=CC=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92229 |