Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C14H9F/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H
SMILES	Fc1cccc(c1)C#Cc1ccccc1
InChI Key	MFQJBZKCLCCYIJ-UHFFFAOYSA-N
Exact Mass	196.220 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/MFQJBZKCLCCYIJ-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/MFQJBZKCLCCYIJ-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 : 2025-04-10 Start time : 19:02:41 UTC Creator : Aleksandra Vranic Label : SAW-17 ID : 311238 Solvent : DMSO Temperature : 298.0004 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO Name : TopSpin

Data-Source Molecule ID	Data-Source
717450	surechembl
23233789	pubchem
Molport-051-573-360	molport
The data in this table is sourced from UniChem at EBI.