Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C24H18O4/c1-15-3-7-17(8-4-15)21(25)23(27)19-11-13-20(14-12-19)24(28)22(26)18-9-5-16(2)6-10-18/h3-14H,1-2H3
SMILES O=C(C(=O)c1ccc(cc1)C)c1ccc(cc1)C(=O)C(=O)c1ccc(cc1)C
InChI Key DKOQYKXLMBEKGB-UHFFFAOYSA-N
Exact Mass 370.397 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DKOQYKXLMBEKGB-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/DKOQYKXLMBEKGB-UHFFFAOYSA-N/CHMO0000595
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-02-03
Related Molecule
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Title : Jan24-2025

Date : 20250126

Start time : 15.48 h

Label : AVC-657

ID : 341504

Solvent : DMSO

Temperature : 298.0 K K

Puls programme : zgpg30

Number of scans : 1024

Instrument : Avance NEO

Data-Source Molecule ID Data-Source
58660032 pubchem
The data in this table is sourced from UniChem at EBI.