| SpectraBase Compound ID | 7H0xLPX4nim |
|---|---|
| InChI | InChI=1S/C8H8BrNO3/c1-13-8-3-2-6(5-9)4-7(8)10(11)12/h2-4H,5H2,1H3 |
| InChIKey | WRNURTUGHOTMMX-UHFFFAOYSA-N |
| Mol Weight | 246.06 g/mol |
| Molecular Formula | C8H8BrNO3 |
| Exact Mass | 244.968756 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GLtcILQc0mV |
|---|---|
| Name | 4-Methoxy-3-nitrobenzyl bromide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.968756119 u |
| Formula | C8H8BrNO3 |
| InChI | InChI=1S/C8H8BrNO3/c1-13-8-3-2-6(5-9)4-7(8)10(11)12/h2-4H,5H2,1H3 |
| InChIKey | WRNURTUGHOTMMX-UHFFFAOYSA-N |
| Molecular Weight | 246.060 g/mol |
| SMILES | C(C=1C=C(C(=CC1)OC)N(=O)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960736 |