Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C22H12Cl2O4/c23-17-8-4-13(5-9-17)19(25)21(27)15-2-1-3-16(12-15)22(28)20(26)14-6-10-18(24)11-7-14/h1-12H
SMILES	O=C(C(=O)c1ccc(cc1)Cl)c1cccc(c1)C(=O)C(=O)c1ccc(cc1)Cl
InChI Key	DJFIOXKDZMHVOB-UHFFFAOYSA-N
Exact Mass	411.234 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DJFIOXKDZMHVOB-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/DJFIOXKDZMHVOB-UHFFFAOYSA-N/CHMO0000595
Version
Author	Sarah Wulff
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-02-03
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Title : Jul31-2024 Date : 20240801 Start time : 2.54 h Label : SAW-59 ID : 314718 Solvent : chloroform-D1 (CDCl3) Temperature : 298.0 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.