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

Formula: C18H11BrIN


Canonical SMILES:
Ic1ccc(cc1)n1c2ccc(cc2c2c1cccc2)Br
InChI:
InChI=1S/C18H11BrIN/c19-12-5-10-18-16(11-12)15-3-1-2-4-17(15)21(18)14-8-6-13(20)7-9-14/h1-11H
InChIKey:
BTENQKLMZIAXHX-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 = 8.24 (d, J = 1.9 Hz, 1H), 8.08 (dt, J = 7.8 Hz, J = 1.0 Hz, 1H), 7.96–7.90 (m, 2H), 7.49 (dd, J = 8.7 Hz, J = 2.0 Hz, 1H), 7.44 (ddd, J = 8.3 Hz, J = 7.0 Hz, J = 1.2 Hz, 1H), 7.36 (dt, J = 8.3 Hz, J = 1.0 Hz, 1H), 7.33–7.27 (m, 3H), 7.25 (d, J = 8.7 Hz, 1H). Impurities: 1.56 ppm (water), 1.42 ppm (cHex), 1.27 ppm + 0.84-0.90 ppm (H-grease), 0.07 ppm (silicon grease).
Datasets