| SpectraBase Compound ID | 4VOZnKIgj2V |
|---|---|
| InChI | InChI=1S/C7H14Br2/c1-6(8)4-3-5-7(2)9/h6-7H,3-5H2,1-2H3 |
| InChIKey | VOFLGGXQQXQKRE-UHFFFAOYSA-N |
| Mol Weight | 258.0 g/mol |
| Molecular Formula | C7H14Br2 |
| Exact Mass | 255.946226 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DaONuVvqM6r |
|---|---|
| Name | Heptane, 2,6-dibromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.946226451 u |
| Formula | C7H14Br2 |
| InChI | InChI=1S/C7H14Br2/c1-6(8)4-3-5-7(2)9/h6-7H,3-5H2,1-2H3 |
| InChIKey | VOFLGGXQQXQKRE-UHFFFAOYSA-N |
| Molecular Weight | 257.997 g/mol |
| SMILES | C(Br)(CCCC(Br)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.82075 |