This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.

Formula: C19H16O6


Canonical SMILES:
COC1(OC(=O)C(=C1c1ccccc1)O)CC(=O)c1ccc(cc1)O
InChI:
InChI=1S/C19H16O6/c1-24-19(11-15(21)12-7-9-14(20)10-8-12)16(17(22)18(23)25-19)13-5-3-2-4-6-13/h2-10,20,22H,11H2,1H3
InChIKey:
LQKBSBWZJOHANT-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2025-04-03This work is licensed under a Creative Commons Attribution 4.0 International License.

 

1H nuclear magnetic resonance spectroscopy (1H NMR) 
Authors: Johannes Liermann1 - Carsten Wieder2,3 - Claudia Simon Sanchez2 - Rainer Wiechert1 - Karsten Andresen2 - Eckhard Thines2,3 - Till Opatz1 - Anja Schueffler3

1. Department Chemie, Johannes Gutenberg-Universität Mainz, Germany

2. Institute of Molecular Physiology (IMP), Johannes Gutenberg-Universität Mainz, Germany

3. Institut für Biotechnologie und Wirkstoff-Forschung, Institut für Biotechnologie und Wirkstoff-Forschung gGmbH, Germany

Analysis DOI:
Analysis ID:
Content:   
1H NMR (600 MHz, DMSO-d₆, ppm) δ = 11.42 (br s, 1H), 10.39 (br s, 1H), 7.82 (m, 2H), 7.71 (m, 2H), 7.44 (m, 2H), 7.33 (m, 1H), 6.74 (m, 2H), 3.76 (d, J = 16.4 Hz, 1H), 3.68 (d, J = 16.4 Hz, 1H), 3.11 (s, 3H).
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