| SpectraBase Compound ID | 9MGSIARhRdu |
|---|---|
| InChI | InChI=1S/C15H14Br2/c16-14-8-4-12(5-9-14)2-1-3-13-6-10-15(17)11-7-13/h4-11H,1-3H2 |
| InChIKey | QJWLIGFFDIRFOR-UHFFFAOYSA-N |
| Mol Weight | 354.09 g/mol |
| Molecular Formula | C15H14Br2 |
| Exact Mass | 351.946226 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7BxNQ3IHKzN |
|---|---|
| Name | 1,3-di(4-Bromophenyl)propane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 351.946226451 u |
| Formula | C15H14Br2 |
| InChI | InChI=1S/C15H14Br2/c16-14-8-4-12(5-9-14)2-1-3-13-6-10-15(17)11-7-13/h4-11H,1-3H2 |
| InChIKey | QJWLIGFFDIRFOR-UHFFFAOYSA-N |
| Molecular Weight | 354.085 g/mol |
| SMILES | C1(Br)=CC=C(CCCC2=CC=C(Br)C=C2)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939347 |