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

Formula: C17H24BrNO


Canonical SMILES:
CCCCC(c1cc(Br)cc2c1cc[nH]2)(CCCC)O
InChI:
InChI=1S/C17H24BrNO/c1-3-5-8-17(20,9-6-4-2)15-11-13(18)12-16-14(15)7-10-19-16/h7,10-12,19-20H,3-6,8-9H2,1-2H3
InChIKey:
IPVPMKZYBAWPHP-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2023-07-31No License

 

1H nuclear magnetic resonance spectroscopy (1H NMR) 
Author: Niklas Krappel1

1. IBCS-FMS, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 8.18 (bs, 1H), 7.46 (s, 1H), 7.31 (d, J = 1.7 Hz, 1H), 7.17 (dd, J = 2.6 Hz, J = 3.3 Hz, 1H), 6.73–6.72 (m, 1H), 2.15–2.07 (m, 2H), 1.95–1.88 (m, 3H), 1.31–1.18 (m, 6H), 1.03–0.92 (m, 2H), 0.81 (t, J = 7.2 Hz, 6H). Impurities: Water (1.56), cyclohexane (1.43), silicone grease (0.08).
Datasets