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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: C12H9N3S
Canonical SMILES: c1ccc([nH]1)/C=N/c1nc2c(s1)cccc2
InChI: InChI=1S/C12H9N3S/c1-2-6-11-10(5-1)15-12(16-11)14-8-9-4-3-7-13-9/h1-8,13H/b14-8+
InChIKey: MHSZCQKGNCQJGP-RIYZIHGNSA-N
Exact Mass:
Crosslinks: 
Published on 2024-04-17
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Author: Valentina Ferraro1
1. IOC, Karlsruhe Institute of Technology, Germany
Analysis DOI:
Analysis ID:
Datasets