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

Formula: C28H22I2


Canonical SMILES:
Ic1ccc(cc1)c1cc2CCc3ccc(CCc1cc2)cc3c1ccc(cc1)I
InChI:
InChI=1S/C28H22I2/c29-25-13-9-23(10-14-25)27-17-19-1-5-21(27)8-4-20-2-6-22(7-3-19)28(18-20)24-11-15-26(30)16-12-24/h1-2,5-6,9-18H,3-4,7-8H2
InChIKey:
FNQCIKYPHCWPGB-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, Dichloromethane-d2 [5.32 ppm], ppm) δ = 7.85–7.82 (m, 4H, CHAr), 7.30–7.27 (m, 4H, CHAr), 6.65–6.62 (m, 4H, CHAr), 6.55 (dd, J = 7.7 Hz, J = 1.9 Hz, 2H, CHAr), 3.39 (ddd, J = 13.9 Hz, J = 10.0 Hz, J = 4.1 Hz, 2H, PCP-CH2), 3.02 (ddd, J = 13.9 Hz, J = 10.1 Hz, J = 4.7 Hz, 2H, PCP-CH2), 2.86 (ddd, J = 14.0 Hz, J = 10.1 Hz, J = 4.1 Hz, 2H, PCP-CH2), 2.74 (ddd, J = 13.7 Hz, J = 10.0 Hz, J = 4.7 Hz, 2H, PCP-CH2). Impurities: 1.56 ppm (water), 0.07 ppm (silicon grease).
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