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

Formula: C20H16N4O2


Canonical SMILES:
CCCn1c(nc2c1cc(C#N)c(c2)C#N)c1ccc(cc1)C(=O)OC
InChI:
InChI=1S/C20H16N4O2/c1-3-8-24-18-10-16(12-22)15(11-21)9-17(18)23-19(24)13-4-6-14(7-5-13)20(25)26-2/h4-7,9-10H,3,8H2,1-2H3
InChIKey:
DXIBAQPVFFVWMB-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2025-03-07This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

13C nuclear magnetic resonance spectroscopy (13C NMR) 
Authors: Lukas Langer1 - Martin Nieger2,3

1. IOC, Karlsruhe Institute of Technology, Deutschland

2. University of Helsinki, Finland

3. Chemisty, University of Helsinki, Finland

Analysis DOI:
Analysis ID:
Content:   
13C NMR (100 MHz, DMSO-d6 [39.5 ppm], ppm) δ = 165.6 (Cq), 157.3 (Cq), 144.3 (Cq), 138.0 (Cq), 133.1 (Cq), 131.4 (Cq), 129.8 (+, 2C), 129.7 (+, 2C), 126.3 (+), 119.0 (+), 116.9 (Cq), 116.9 (Cq), 107.3 (Cq), 107.2, 52.5 (-), 46.5 (+), 22.6 (-), 10.7 (+).
Datasets