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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: C16H17N5O
Canonical SMILES: O=C(c1ccccc1)N1N=Nc2c(C1)cn(n2)C1CCCC1
InChI: InChI=1S/C16H17N5O/c22-16(12-6-2-1-3-7-12)21-11-13-10-20(14-8-4-5-9-14)18-15(13)17-19-21/h1-3,6-7,10,14H,4-5,8-9,11H2
InChIKey: JUJUWEBLNYJZJO-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2021-07-11
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Author: Nicolai Wippert1
1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany
Analysis DOI:
Analysis ID:
Datasets