| SpectraBase Compound ID | rM4HvE0bAY |
|---|---|
| InChI | InChI=1S/C7H15Br/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3 |
| InChIKey | HLAUCEOFCOXKNF-UHFFFAOYSA-N |
| Mol Weight | 179.1 g/mol |
| Molecular Formula | C7H15Br |
| Exact Mass | 178.035713 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1k7nMMv6aJ5 |
|---|---|
| Name | 2-Bromoheptane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.035713483 u |
| Formula | C7H15Br |
| InChI | InChI=1S/C7H15Br/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3 |
| InChIKey | HLAUCEOFCOXKNF-UHFFFAOYSA-N |
| Molecular Weight | 179.101 g/mol |
| SMILES | CCCCCC(C)Br |
| Spectrum/Structure Validation Score (Raman) | 0.967511 |