)))
New to the Repository? Check the Settings and Preparation guide. Starting your research? Review our How to provide data instructions. Learn more in How-To section, and feel free to reach out via or
Click to enable zooming
This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.
Formula: C8H7NO4
Canonical SMILES: Nc1cc(cc(c1)C(=O)O)C(=O)O
InChI: InChI=1S/C8H7NO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
InChIKey: KBZFDRWPMZESDI-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2024-08-08
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Author: Alex Johnson1
1. Chemistry, Newcastle University, United Kingdom
Analysis DOI:
Analysis ID:
Datasets