| SpectraBase Compound ID | GN0ZxLOZVNo |
|---|---|
| InChI | InChI=1S/C8H8BrNO3/c1-5-6(9)3-4-7(13-2)8(5)10(11)12/h3-4H,1-2H3 |
| InChIKey | RZOPBDDNOSELGK-UHFFFAOYSA-N |
| Mol Weight | 246.06 g/mol |
| Molecular Formula | C8H8BrNO3 |
| Exact Mass | 244.968756 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5iNlEmnbOMR |
|---|---|
| Name | 1-Bromo-4-methoxy-2-methyl-3-nitro-benzene |
| 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/c1-5-6(9)3-4-7(13-2)8(5)10(11)12/h3-4H,1-2H3 |
| InChIKey | RZOPBDDNOSELGK-UHFFFAOYSA-N |
| Molecular Weight | 246.060 g/mol |
| SMILES | C1(N(=O)=O)=C(C(Br)=CC=C1OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89345 |