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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 2025-03-07
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
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:
Datasets