Dataset

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

Chemical Information

InChI	InChI=1S/C22H14O4/c23-19(15-8-3-1-4-9-15)21(25)17-12-7-13-18(14-17)22(26)20(24)16-10-5-2-6-11-16/h1-14H
SMILES	O=C(C(=O)c1ccccc1)c1cccc(c1)C(=O)C(=O)c1ccccc1
InChI Key	JXFFIJCCFUQFQC-UHFFFAOYSA-N
Exact Mass	342.344 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

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

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables	title : Apr03-2024 date : 20240403 starting time : 23.28 h label : AVC-530 id : 301170 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
10410934	surechembl
100828	pubchem
CIJFEG	CCDC
The data in this table is sourced from UniChem at EBI.