Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C22H12F2O4/c23-17-9-5-15(6-10-17)21(27)19(25)13-1-2-14(4-3-13)20(26)22(28)16-7-11-18(24)12-8-16/h1-12H
SMILES	O=C(C(=O)c1ccc(cc1)F)c1ccc(cc1)C(=O)C(=O)c1ccc(cc1)F
InChI Key	WWEQLLOBSIEOEM-UHFFFAOYSA-N
Exact Mass	378.325 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/WWEQLLOBSIEOEM-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/WWEQLLOBSIEOEM-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	Date : 2025-07-24 Start time : 23:50:10 UTC Creator : Aleksandra Vranic Label : AVC-443 ID : 137887 Solvent : CDCl3 Temperature : 298.0001 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO Name : TopSpin Version : 4.0.7

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