| SpectraBase Compound ID | BkI94VBg15I |
|---|---|
| InChI | InChI=1S/C7H5BrN2O5/c1-15-7-5(8)2-4(9(11)12)3-6(7)10(13)14/h2-3H,1H3 |
| InChIKey | WMRVRFDTNCYXOY-UHFFFAOYSA-N |
| Mol Weight | 277.03 g/mol |
| Molecular Formula | C7H5BrN2O5 |
| Exact Mass | 275.938184 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4E6xx9rtJZW |
|---|---|
| Name | 2-Bromo-4,6-dinitroanisole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.938184264 u |
| Formula | C7H5BrN2O5 |
| InChI | InChI=1S/C7H5BrN2O5/c1-15-7-5(8)2-4(9(11)12)3-6(7)10(13)14/h2-3H,1H3 |
| InChIKey | WMRVRFDTNCYXOY-UHFFFAOYSA-N |
| Molecular Weight | 277.030 g/mol |
| SMILES | C1(N(=O)=O)=C(C(Br)=CC(N(=O)=O)=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976743 |