)))
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: C4H10ClNO3
Canonical SMILES: COC(=O)[C@@H]([NH3+])CO.[Cl-]
InChI: InChI=1S/C4H9NO3.ClH/c1-8-4(7)3(5)2-6;/h3,6H,2,5H2,1H3;1H/t3-;/m0./s1
InChIKey: NDBQJIBNNUJNHA-DFWYDOINSA-N
Exact Mass:
Crosslinks: 
Published on 2024-12-03
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Author: 
Jana Alpin1
1. Institute of Biological and Chemical Systems - Functional Molecular Systems, Karlsruhe Institute of Technology, Germany
Analysis DOI:
Analysis ID:
Datasets