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

Formula: C16H14Br2


Canonical SMILES:
Brc1cc2CCc3ccc(CCc1cc2)c(c3)Br
InChI:
InChI=1S/C16H14Br2/c17-15-9-11-1-2-12-4-6-14(16(18)10-12)8-7-13(15)5-3-11/h3-6,9-10H,1-2,7-8H2
InChIKey:
YTVHCBMSDDDSSN-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 = 7.21–7.14 (m, 2H, CHAr), 6.59–6.55 (m, 2H, CHAr), 6.51–6.43 (m, 2H, CHAr), 3.37–3.28 (m, 2H, PCP-CH2), 3.07 (m, 4H, PCP-CH2), 2.95–2.84 (m, 2H, PCP-CH2). Impurities: 6.52 and 3.55–2.55 ppm (4,16-PCP), 1.56 ppm (water), 0.07 ppm (silicon grease). The yield was adjusted accordingly.
Datasets