Dataset

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

Chemical Information

InChI	InChI=1S/C14H9FO2/c15-12-8-4-7-11(9-12)14(17)13(16)10-5-2-1-3-6-10/h1-9H
SMILES	Fc1cccc(c1)C(=O)C(=O)c1ccccc1
InChI Key	HECLPIFRFIEUFA-UHFFFAOYSA-N
Exact Mass	228.218 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

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

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables	title : Jul11-2024 date : 20240712 starting time : 4.57 h label : SAW-24 id : 312063 Solvent : DMSO temperature : 299.6 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans instrument : Avance NEO

Data-Source Molecule ID	Data-Source
46863004	pubchem
The data in this table is sourced from UniChem at EBI.