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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: C8H5N3O4
Canonical SMILES: N#[N+][N-]c1cc(ccc1C(=O)O)C(=O)O
InChI: InChI=1S/C8H5N3O4/c9-11-10-6-3-4(7(12)13)1-2-5(6)8(14)15/h1-3H,(H,12,13)(H,14,15)
InChIKey: IUGMVBUDECYPGB-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2014-05-27
infrared absorption spectroscopy (IR)
Author: Sylvain Grosjean
Analysis DOI:
Analysis ID:
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