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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: C6H7NO
Canonical SMILES: OCc1ccccn1
InChI: InChI=1S/C6H7NO/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2
InChIKey: SHNUBALDGXWUJI-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2025-04-05
heteronuclear multiple bond coherence (HMBC)
Author: 
Fabian Schönle1
1. Institute of Biological and Chemical Systems (IBCS), Karlsruher Institute of Technology (KIT), Germany
Analysis DOI:
Analysis ID:
Datasets