| SpectraBase Compound ID | KCzhzhRdrIu |
|---|---|
| InChI | InChI=1S/C8H6BrNO5/c1-15-8-6(10(13)14)4(3-11)2-5(9)7(8)12/h2-3,12H,1H3 |
| InChIKey | XAZNBZJAJJLBJC-UHFFFAOYSA-N |
| Mol Weight | 276.04 g/mol |
| Molecular Formula | C8H6BrNO5 |
| Exact Mass | 274.942935 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FtzHNA3XwM1 |
|---|---|
| Name | 5-Bromo-2-nitrovanillin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.942935292 u |
| Formula | C8H6BrNO5 |
| InChI | InChI=1S/C8H6BrNO5/c1-15-8-6(10(13)14)4(3-11)2-5(9)7(8)12/h2-3,12H,1H3 |
| InChIKey | XAZNBZJAJJLBJC-UHFFFAOYSA-N |
| SMILES | OC1=C(C(=C(C=C1Br)C=O)N(=O)=O)OC |
| Spectrum/Structure Validation Score (Raman) | 0.972694 |