SpectraBase Compound ID | BQn5SBCI6TC |
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InChI | InChI=1S/C7H6BrNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3 |
InChIKey | KCOBIBRGPCFIGF-UHFFFAOYSA-N |
Mol Weight | 232.03 g/mol |
Molecular Formula | C7H6BrNO3 |
Exact Mass | 230.953106 g/mol |
SpectraBase Spectrum ID | 3QZnlw8iwCN |
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Name | 4-Bromo-3-nitroanisole |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 338737 |
CAS Registry Number | 5344-78-5 |
Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C7H6BrNO3 |
InChI | InChI=1S/C7H6BrNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3 |
InChIKey | KCOBIBRGPCFIGF-UHFFFAOYSA-N |
Observed nucleus | 1H |
Purity | 97% |
Solvent | CDCl3 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Wiley ID | SIAL_1HNMR_006883 |