)))
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: C18H16N2O3
Canonical SMILES: O=C(C1CC(=O)c2c3c1c(C)[nH]c3ccc2)NCc1ccco1
InChI: InChI=1S/C18H16N2O3/c1-10-16-13(18(22)19-9-11-4-3-7-23-11)8-15(21)12-5-2-6-14(20-10)17(12)16/h2-7,13,20H,8-9H2,1H3,(H,19,22)
InChIKey: QIROZZVNYLUVGF-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2024-10-14
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Authors: 
Felix Potlitz1 - Andreas Link2
1. Institute of Pharmacy, University of Greifswald, Deutschland
2. Institute of Pharmacy, University of Greifswald, Germany
Analysis DOI:
Analysis ID:
Datasets