| SpectraBase Compound ID | 5xcFNGgtSu9 |
|---|---|
| InChI | InChI=1S/C11H9Br/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-7H,1H3 |
| InChIKey | IDRVLLRKAAHOBP-UHFFFAOYSA-N |
| Mol Weight | 221.1 g/mol |
| Molecular Formula | C11H9Br |
| Exact Mass | 219.988763 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FqW83muBCCg |
|---|---|
| Name | 1-Bromo-4-methylnaphthalene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.988763290 u |
| Formula | C11H9Br |
| InChI | InChI=1S/C11H9Br/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-7H,1H3 |
| InChIKey | IDRVLLRKAAHOBP-UHFFFAOYSA-N |
| Molecular Weight | 221.097 g/mol |
| SMILES | C1=CC=CC2=C1C(Br)=CC=C2C |
| Spectrum/Structure Validation Score (Raman) | 0.970053 |