| SpectraBase Compound ID | 6Q2RIavdqcX |
|---|---|
| InChI | InChI=1S/C9H7BrO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4H2 |
| InChIKey | SEQHEDQNODAFIU-UHFFFAOYSA-N |
| Mol Weight | 211.06 g/mol |
| Molecular Formula | C9H7BrO |
| Exact Mass | 209.968028 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DbOnHZFXWrA |
|---|---|
| Name | 6-Bromo-1-indanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.968027844 u |
| Formula | C9H7BrO |
| InChI | InChI=1S/C9H7BrO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4H2 |
| InChIKey | SEQHEDQNODAFIU-UHFFFAOYSA-N |
| Molecular Weight | 211.058 g/mol |
| SMILES | C=12C=CC(=CC1C(CC2)=O)Br |
| Spectrum/Structure Validation Score (Raman) | 0.973108 |