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

 

13C nuclear magnetic resonance spectroscopy (13C NMR) 
Author: Niklas Krappel1

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

Analysis DOI:
Analysis ID:
Content:   
13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 140.6 (Cq), 137.2 (Cq), 123.7 (CH), 123.4 (Cq), 120.5 (CH), 115.5 (Cq), 112.6 (CH), 103.4 (CH), 77.9 (Cq), 41.5 (2CH2), 25.7 (2CH2), 23.1 (2CH2), 14.0 (2CH3). Impurities: Cyclohexane (26.9).
Datasets