Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C18H6F12/c19-15(20,21)11-3-9(4-12(7-11)16(22,23)24)1-2-10-5-13(17(25,26)27)8-14(6-10)18(28,29)30/h3-8H
SMILES	FC(c1cc(C#Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F)(F)F
InChI Key	UOIKFKIMHPBEQF-UHFFFAOYSA-N
Exact Mass	450.221 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UOIKFKIMHPBEQF-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/UOIKFKIMHPBEQF-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 : 2025-06-03 Start time : 21:05:52 UTC Creator : Aleksandra Vranic Label : AVC-719 ID : 364929 Solvent : CDCl3 Temperature : 298.0003 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO Name : TopSpin

Data-Source Molecule ID	Data-Source
16125781	pubchem
The data in this table is sourced from UniChem at EBI.