| SpectraBase Compound ID | 2TKeqHMy5hb |
|---|---|
| InChI | InChI=1S/C12H9Br/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2 |
| InChIKey | QALKJGMGKYKMKE-UHFFFAOYSA-N |
| Mol Weight | 233.11 g/mol |
| Molecular Formula | C12H9Br |
| Exact Mass | 231.988763 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IdEgH3wLMAI |
|---|---|
| Name | 5-Bromoacenaphthene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.988763290 u |
| Formula | C12H9Br |
| InChI | InChI=1S/C12H9Br/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2 |
| InChIKey | QALKJGMGKYKMKE-UHFFFAOYSA-N |
| Molecular Weight | 233.108 g/mol |
| SMILES | C=12C=CC=C3C1C(=CC=C2Br)CC3 |
| Spectrum/Structure Validation Score (Raman) | 0.953564 |