)))
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: C12H12O5
Canonical SMILES: CC(=O)Oc1ccc(c(c1)OC(=O)C)C(=O)C
InChI: InChI=1S/C12H12O5/c1-7(13)11-5-4-10(16-8(2)14)6-12(11)17-9(3)15/h4-6H,1-3H3
InChIKey: FKSHOQTWUWCWTG-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2024-03-21
heteronuclear multiple bond coherence (HMBC)
Author: 
Simone Gräßle1,2
1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany
2. Institute of Biological and Chemical Systems - Functional Molecular Systems, Karlsruhe Institute of Technology, Germany
Analysis DOI:
Analysis ID:
Datasets