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

Formula: C19H16O5


Canonical SMILES:
COC1(CC(=O)c2ccccc2)OC(=O)C(=C1c1ccccc1)O
InChI:
InChI=1S/C19H16O5/c1-23-19(12-15(20)13-8-4-2-5-9-13)16(17(21)18(22)24-19)14-10-6-3-7-11-14/h2-11,21H,12H2,1H3
InChIKey:
ZSQDINYGPVLTCM-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, CDCl3, ppm) δ = 7.92–7.87 (m, 2H), 7.85–7.81 (m, 2H), 7.51–7.49 (m, 1H), 7.47–7.42 (m, 2H), 7.42–7.38 (m, 2H), 7.38–7.34 (m, 1H), 6.72 (br s, 1H), 3.90 (d, J = 16.5 Hz, 1H), 3.67 (d, J = 16.5 Hz, 1H), 3.28 (s, 3H).
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