| SpectraBase Compound ID | 63inirnQHRB |
|---|---|
| InChI | InChI=1S/C7H12BrClO/c1-2-3-4-5-6(8)7(9)10/h6H,2-5H2,1H3 |
| InChIKey | TYAKEAXQTLMUIS-UHFFFAOYSA-N |
| Mol Weight | 227.53 g/mol |
| Molecular Formula | C7H12BrClO |
| Exact Mass | 225.976006 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Fuf2qVhL64G |
|---|---|
| Name | 2-Bromoheptanoyl chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.976005705 u |
| Formula | C7H12BrClO |
| InChI | InChI=1S/C7H12BrClO/c1-2-3-4-5-6(8)7(9)10/h6H,2-5H2,1H3 |
| InChIKey | TYAKEAXQTLMUIS-UHFFFAOYSA-N |
| Molecular Weight | 227.529 g/mol |
| SMILES | CCCCCC(C(Cl)=O)Br |
| Spectrum/Structure Validation Score (Raman) | 0.920803 |