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

Formula: C20H20


Canonical SMILES:
C=Cc1cc2CCc3ccc(CCc1cc2)cc3C=C
InChI:
InChI=1S/C20H20/c1-3-17-13-15-5-9-19(17)11-7-16-6-10-20(12-8-15)18(4-2)14-16/h3-6,9-10,13-14H,1-2,7-8,11-12H2
InChIKey:
TTXZIYBDKNEJBG-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 = 6.81 (dd, J = 17.4 Hz, J = 10.9 Hz, 2H, vinyl-CH), 6.67 (dd, J = 7.7 Hz, J = 1.9 Hz, 2H, CHAr), 6.54 (d, J = 1.9 Hz, 2H, CHAr), 6.33 (d, J = 7.7 Hz, 2H, CHAr), 5.54 (dd, J = 17.4 Hz, J = 1.4 Hz, 2H, vinyl-CH2), 5.28 (dd, J = 10.9 Hz, J = 1.4 Hz, 2H, vinyl-CH2), 3.47 (ddd, J = 13.1 Hz, J = 10.0 Hz, J = 2.7 Hz, 2H, PCP-CH2), 3.10–2.90 (m, 4H, PCP-CH2), 2.83 (ddd, J = 13.5 Hz, J = 10.6 Hz, J = 5.7 Hz, 2H, PCP-CH2). Impurities: 1.56 ppm (water), 0.07 ppm (silicon grease).
Datasets