Dataset

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

Chemical Information

InChI	InChI=1S/C14H9F/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H
SMILES	Fc1ccc(cc1)C#Cc1ccccc1
InChI Key	RCOPXPNGDKPSLU-UHFFFAOYSA-N
Exact Mass	196.220 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

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

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables	title : Jun14-2024 date : 20240615 starting time : 1.49 h label : SAW-5 id : 310333 Solvent : chloroform-D1 (CDCl3) temperature : 296.9 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans instrument : Avance NEO

Data-Source Molecule ID	Data-Source
717468	surechembl
10954481	pubchem
Molport-047-801-627	molport
The data in this table is sourced from UniChem at EBI.