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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: C12H18BNO2
Canonical SMILES: Nc1ccccc1B1OC(C(O1)(C)C)(C)C
InChI: InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8H,14H2,1-4H3
InChIKey: ZCJRWQDZPIIYLM-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2024-12-09
heteronuclear single quantum coherence (HSQC)
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:
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