Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

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

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DJFIOXKDZMHVOB-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/DJFIOXKDZMHVOB-UHFFFAOYSA-N/CHMO0001146
Version
Author	Sarah Wulff
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-02-03
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables	title : Jul31-2024 date : 20240801 starting time : 3.25 h label : SAW-59 id : 314718 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans instrument : Avance NEO

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