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

Formula: C18H12O4


Canonical SMILES:
Oc1ccc(cc1)C1=CC(=O)C(=C(C1=O)O)c1ccccc1
InChI:
InChI=1S/C18H12O4/c19-13-8-6-11(7-9-13)14-10-15(20)16(18(22)17(14)21)12-4-2-1-3-5-12/h1-10,19,22H
InChIKey:
HLFCRNGNTFLPPX-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 = 10.85 (br s, 1H), 9.93 (m, 1H), 7.47 (m, 2H), 7.39 (m, 2H), 7.34 (m, 2H), 7.31 (m, 1H), 6.85 (m, 2H), 6.78 (s, 1H).
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