)))
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: C8H6O2
Canonical SMILES: O=Cc1cccc(c1)C=O
InChI: InChI=1S/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6H
InChIKey: IZALUMVGBVKPJD-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2024-08-07
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Author: Grace Hunt1
1. Newcastle University, United Kingdom
Analysis DOI:
Analysis ID:
Datasets