![1-[Bromo(chloro)methyl]-4-nitrobenzene](/api/spectrum/JlroQHSN4Vr/structure.png?h=300&w=458 "1-[Bromo(chloro)methyl]-4-nitrobenzene")
| SpectraBase Compound ID | 7fElz2kMF1O |
|---|---|
| InChI | InChI=1S/C7H5BrClNO2/c8-7(9)5-1-3-6(4-2-5)10(11)12/h1-4,7H |
| InChIKey | AXVAQUROLDVXOX-UHFFFAOYSA-N |
| Mol Weight | 250.48 g/mol |
| Molecular Formula | C7H5BrClNO2 |
| Exact Mass | 248.919219 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JlroQHSN4Vr |
|---|---|
| Name | 1-[Bromo(chloro)methyl]-4-nitrobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.919219103 u |
| Formula | C7H5BrClNO2 |
| InChI | InChI=1S/C7H5BrClNO2/c8-7(9)5-1-3-6(4-2-5)10(11)12/h1-4,7H |
| InChIKey | AXVAQUROLDVXOX-UHFFFAOYSA-N |
| Molecular Weight | 250.479 g/mol |
| SMILES | C1=C(C=CC(=C1)N(=O)=O)C(Br)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950203 |