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

Formula: C20H23Br2N


Canonical SMILES:
CCCCC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)CC
InChI:
InChI=1S/C20H23Br2N/c1-3-5-6-14(4-2)13-23-19-9-7-15(21)11-17(19)18-12-16(22)8-10-20(18)23/h7-12,14H,3-6,13H2,1-2H3
InChIKey:
ZDFZWZGIGKUBRA-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, Dichloromethane-d2 [5.32 ppm], ppm) δ = 8.16 (d, J = 1.9 Hz, 2H, CHAr), 7.56 (dd, J = 8.7 Hz, J = 2.0 Hz, 2H, CHAr), 7.31 (d, J = 8.7 Hz, 2H, CHAr), 4.12 (dd, J = 7.6 Hz, J = 1.2 Hz, 2H, N-CH2), 2.05–1.96 (m, 1H, alkyl-CH), 1.42–1.19 (m, 8H, alkyl-CH2 ), 0.90 (t, J = 7.4 Hz, 3H, alkyl-CH3), 0.84 (t, J = 7.1 Hz, 3H, alkyl-CH3). Impurities: 1.56 ppm (water), 1.44 ppm (cHex), 0.07 ppm (silicon grease).
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