Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C26H18O2/c27-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)26(28)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H
SMILES O=C(C(=O)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1
InChI Key GLGSKPXEIKBTOI-UHFFFAOYSA-N
Exact Mass 362.420 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GLGSKPXEIKBTOI-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/GLGSKPXEIKBTOI-UHFFFAOYSA-N/CHMO0000593
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-02-03
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
title : Jan09-2025

date : 20250109

starting time : 10.18 h

label : AVC-604

id : 326766

Solvent : DMSO

temperature : 298.0 K

PULPROG : zg30

number of scans : 16 scans

instrument : Avance NEO

Data-Source Molecule ID Data-Source
9647147 surechembl
275040 pubchem
LIGDOX CCDC
Molport-002-465-502 molport
The data in this table is sourced from UniChem at EBI.