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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: C9H9FO3
Canonical SMILES: OC(=O)C(c1ccc(cc1)F)(O)C
InChI: InChI=1S/C9H9FO3/c1-9(13,8(11)12)6-2-4-7(10)5-3-6/h2-5,13H,1H3,(H,11,12)
InChIKey: ZZCVUIWOTANGSM-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2024-10-08
heteronuclear single quantum coherence (HSQC)
Author: 
Elena Foitzik1
1. Institute of Biological and Chemical Systems - Functional Molecular Systems (IBCS-FMS), Karlsruhe Institute of Technology, Germany
Analysis DOI:
Analysis ID:
Datasets