| SpectraBase Compound ID | QQA5RlYrq0 |
|---|---|
| InChI | InChI=1S/C9H11BrN2O3/c1-2-3-15-9-5-7(11)8(12(13)14)4-6(9)10/h4-5H,2-3,11H2,1H3 |
| InChIKey | FMQQXUIUCFDKNE-UHFFFAOYSA-N |
| Mol Weight | 275.1 g/mol |
| Molecular Formula | C9H11BrN2O3 |
| Exact Mass | 273.995305 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1aWHzPi0qEO |
|---|---|
| Name | 4-Bromo-2-nitro-5-propoxyaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.995305219 u |
| Formula | C9H11BrN2O3 |
| InChI | InChI=1S/C9H11BrN2O3/c1-2-3-15-9-5-7(11)8(12(13)14)4-6(9)10/h4-5H,2-3,11H2,1H3 |
| InChIKey | FMQQXUIUCFDKNE-UHFFFAOYSA-N |
| SMILES | C1(OCCC)=CC(N)=C(N(=O)=O)C=C1Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956048 |