| SpectraBase Compound ID | BbawgEBLj7L |
|---|---|
| InChI | InChI=1S/C12H8BrNO2/c13-10-5-4-9-11(14(15)16)6-2-7-1-3-8(10)12(7)9/h2,4-6H,1,3H2 |
| InChIKey | ACGPLKZIFVVTAX-UHFFFAOYSA-N |
| Mol Weight | 278.11 g/mol |
| Molecular Formula | C12H8BrNO2 |
| Exact Mass | 276.973841 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | K7osH0VBgah |
|---|---|
| Name | 3-Bromo-6-nitroacenaphthene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.973841500 u |
| Formula | C12H8BrNO2 |
| InChI | InChI=1S/C12H8BrNO2/c13-10-5-4-9-11(14(15)16)6-2-7-1-3-8(10)12(7)9/h2,4-6H,1,3H2 |
| InChIKey | ACGPLKZIFVVTAX-UHFFFAOYSA-N |
| SMILES | C1CC=2C=3C1=CC=C(C3C=CC2Br)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.955537 |