Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C14H6F4O2/c15-9-1-7(2-10(16)5-9)13(19)14(20)8-3-11(17)6-12(18)4-8/h1-6H
SMILES	O=C(C(=O)c1cc(F)cc(c1)F)c1cc(F)cc(c1)F
InChI Key	ZDXXQKFXZDPNLI-UHFFFAOYSA-N
Exact Mass	282.190 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/ZDXXQKFXZDPNLI-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/ZDXXQKFXZDPNLI-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 : 2025-06-15 Start time : 05:05:54 UTC Creator : Aleksandra Vranic Label : AVC-731 ID : 370061 Solvent : CDCl3 Temperature : 297.9988 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO Name : TopSpin

Data-Source Molecule ID	Data-Source
CHEMBL193229	chembl
2156965	surechembl
11437501	pubchem
PE9A4DX2VX	fdasrs
PD179152	probes_and_drugs
IWAXIQ	CCDC
10017	brenda
41035	bindingdb
41095	bindingdb
41155	bindingdb
41215	bindingdb
41275	bindingdb
50380482	bindingdb
50380487	bindingdb
50380586	bindingdb
50380588	bindingdb
51008005	bindingdb
51051509	bindingdb
51051525	bindingdb
The data in this table is sourced from UniChem at EBI.