| SpectraBase Compound ID | FKsLcmb2CXc |
|---|---|
| InChI | InChI=1S/C7H5BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H |
| InChIKey | MKKSTJKBKNCMRV-UHFFFAOYSA-N |
| Mol Weight | 201.02 g/mol |
| Molecular Formula | C7H5BrO2 |
| Exact Mass | 199.947292 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5omvZrdSc9C |
|---|---|
| Name | 5-Bromosalicylaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.947292399 u |
| Formula | C7H5BrO2 |
| InChI | InChI=1S/C7H5BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H |
| InChIKey | MKKSTJKBKNCMRV-UHFFFAOYSA-N |
| Molecular Weight | 201.019 g/mol |
| SMILES | OC1=C(C=C(Br)C=C1)C=O |
| Spectrum/Structure Validation Score (Raman) | 0.701368 |