| SpectraBase Compound ID | 36AoiNk7Hdv |
|---|---|
| InChI | InChI=1S/C10H12Br2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-8H,1-2H3 |
| InChIKey | SPHVUXIZEZXNPH-UHFFFAOYSA-N |
| Mol Weight | 292.01 g/mol |
| Molecular Formula | C10H12Br2 |
| Exact Mass | 289.930576 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6c4gUTyjTm7 |
|---|---|
| Name | Benzene, 1,4-bis(1-bromoethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.930576386 u |
| Formula | C10H12Br2 |
| InChI | InChI=1S/C10H12Br2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-8H,1-2H3 |
| InChIKey | SPHVUXIZEZXNPH-UHFFFAOYSA-N |
| SMILES | C(Br)(C1=CC=C(C(C)Br)C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889133 |