| SpectraBase Compound ID | 9kWW8RQkG4T |
|---|---|
| InChI | InChI=1S/C6H12Br2/c1-6(8)4-2-3-5-7/h6H,2-5H2,1H3 |
| InChIKey | FINUUDAOCYEWBV-UHFFFAOYSA-N |
| Mol Weight | 243.97 g/mol |
| Molecular Formula | C6H12Br2 |
| Exact Mass | 241.930576 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8lzoHw0Yecu |
|---|---|
| Name | Hexane, 1,5-dibromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.930576386 u |
| Formula | C6H12Br2 |
| InChI | InChI=1S/C6H12Br2/c1-6(8)4-2-3-5-7/h6H,2-5H2,1H3 |
| InChIKey | FINUUDAOCYEWBV-UHFFFAOYSA-N |
| Molecular Weight | 243.970 g/mol |
| SMILES | C(CCCBr)C(C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.859547 |