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)cc3Br
InChI:
InChI=1S/C16H14Br2/c17-15-9-11-1-5-13(15)8-4-12-2-6-14(7-3-11)16(18)10-12/h1-2,5-6,9-10H,3-4,7-8H2
InChIKey:
QDMAXRJHDMKTQH-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 = 7.19 (d, J = 1.7 Hz, 2H, CHAr), 6.55 (d, J = 7.8 Hz, 2H, CHAr), 6.52 (dd, J = 7.8 Hz, J = 1.7 Hz, 2H, CHAr), 3.45 (ddd, J = 13.3 Hz, J = 9.5 Hz, J = 2.2 Hz, 2H, PCP-CH2), 3.12–2.98 (m, 4H, PCP-CH2), 2.81 (ddd, J = 13.3 Hz, J = 10.1 Hz, J = 6.9 Hz, 2H, PCP-CH2). Impurities: 1.56 ppm (water), 1.27 ppm + 0.89 ppm (H-grease), 0.07 ppm (silicon grease), traces of 4,16-dibromo-paracyclophane across the spectrum. The yield was adjusted accordingly.
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