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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: C₁₉H₁₆O₅

Canonical SMILES:
COc1cc(c2ccc(cc2)O)c(c(c1c1ccc(cc1)O)O)O

InChI:
InChI=1S/C19H16O5/c1-24-16-10-15(11-2-6-13(20)7-3-11)18(22)19(23)17(16)12-4-8-14(21)9-5-12/h2-10,20-23H,1H3

InChIKey:
HDXIDAAYQIUQQS-UHFFFAOYSA-N

Exact Mass:

Crosslinks:

Published on 2025-04-03

attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

Authors: Johannes Liermann¹ - Carsten Wieder^2,3 - Claudia Simon Sanchez² - Rainer Wiechert¹ - Karsten Andresen² - Eckhard Thines^2,3 - 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:

IR (ATR, ṽ) = 1611 (vs), 1514 (vs), 1437 (s), 1269 (vs), 1232 (vs), 1173 (s), 1015 (vs), 953 (s), 835 (s) cm–1.

Datasets

Formula: C19H16O5

Canonical SMILES: COc1cc(c2ccc(cc2)O)c(c(c1c1ccc(cc1)O)O)O

InChI: InChI=1S/C19H16O5/c1-24-16-10-15(11-2-6-13(20)7-3-11)18(22)19(23)17(16)12-4-8-14(21)9-5-12/h2-10,20-23H,1H3

InChIKey: HDXIDAAYQIUQQS-UHFFFAOYSA-N