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This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.
Formula: C9H10O3
Canonical SMILES: CC(=O)Oc1cc(C)cc(c1)O
InChI: InChI=1S/C9H10O3/c1-6-3-8(11)5-9(4-6)12-7(2)10/h3-5,11H,1-2H3
InChIKey: WNNFOAQKFKIJQP-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2024-01-19
correlation spectroscopy (COSY)
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