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

Formula: C32H24BrNO2S


Canonical SMILES:
COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)c1ccc2c(c1)c1cc(Br)ccc1s2
InChI:
InChI=1S/C32H24BrNO2S/c1-35-27-13-9-25(10-14-27)34(26-11-15-28(36-2)16-12-26)24-7-3-21(4-8-24)22-5-17-31-29(19-22)30-20-23(33)6-18-32(30)37-31/h3-20H,1-2H3
InChIKey:
NBMBLWBOEUGTIB-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 = 8.31–8.28 (m, 1H), 8.25–8.24 (m, 1H), 7.90–7.83 (m, 1H), 7.74–7.59 (m, 2H), 7.58–7.44 (m, 3H), 7.14–7.10 (m, 4H), 7.07–7.03 (m, 2H), 6.89–6.85 (m, 4H), 3.82 (s, 6H). Impurities: 4.12 ppm + 2.00 ppm + 1.26 ppm (EtOAc), 1.27 ppm + 0.84–0.90 ppm (H-grease), 0.07 ppm (silicon grease), aromatic region (unknown impurity). The yield was adjusted accordingly..
Datasets