)))
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: C12H24O6
Canonical SMILES: O1CCOCCOCCOCCOCCOCC1
InChI: InChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
InChIKey: XEZNGIUYQVAUSS-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2024-08-06
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Author: Grace Hunt1
1. Newcastle University, United Kingdom
Analysis DOI:
Analysis ID:
Datasets