This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.

Formula: C12H8BrN


Canonical SMILES:
Brc1ccc2c(c1)c1ccccc1[nH]2
InChI:
InChI=1S/C12H8BrN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H
InChIKey:
LTBWKAYPXIIVPC-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2025-02-26This work is licensed under a Creative Commons Attribution 4.0 International License.

 

1H nuclear magnetic resonance spectroscopy (1H NMR) 
Author: Henrik Tappert1

1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Deutschland

Analysis DOI:
Analysis ID:
Content:   
1H NMR (400 MHz, Chloroform-d [7.26 ppm], ppm) δ = 8.19 (d, J = 1.9 Hz, 1H), 8.07 (br.s, 1H, NH), 8.03 (dt, J = 7.8 Hz, J = 0.9 Hz, 1H), 7.50 (dd, J = 8.6 Hz, J = 2.0 Hz, 1H), 7.45–7.42 (m, 2H), 7.31 (d, J = 8.5 Hz, 1H), 7.27–7.23 (m, 1H). Impurities: 1.56 ppm (water), 1.27 ppm + 0.84–0.90 ppm (H-grease), 0.07 ppm (silicon grease).
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