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 = 7.14 (dd, J = 7.9 Hz, J = 1.8 Hz, 2H, CHAr), 6.51 (d, J = 1.8 Hz, 2H, CHAr), 6.44 (d, J = 7.8 Hz, 2H, CHAr), 3.50 (ddd, J = 13.0 Hz, J = 10.4 Hz, J = 2.3 Hz, 2H, PCP-CH2), 3.16 (ddd, J = 12.6 Hz, J = 10.3 Hz, J = 4.9 Hz, 2H, PCP-CH2), 2.95 (ddd, J = 12.7 Hz, J = 10.7 Hz, J = 2.3 Hz, 2H, PCP-CH2), 2.85 (ddd, J = 13.2 Hz, J = 10.7 Hz, J = 4.9 Hz, 2H, PCP-CH2). Impurities: 1.56 ppm (water from CDCl3), 0.07 ppm (silicon grease).
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