Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C14H6F4/c15-11-3-9(4-12(16)7-11)1-2-10-5-13(17)8-14(18)6-10/h3-8H
SMILES Fc1cc(C#Cc2cc(F)cc(c2)F)cc(c1)F
InChI Key COOGSULIHXHTDQ-UHFFFAOYSA-N
Exact Mass 250.191 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/COOGSULIHXHTDQ-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/COOGSULIHXHTDQ-UHFFFAOYSA-N/CHMO0001146
Version
Author Sarah Wulff
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-02-03
Related Molecule
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
date : 2025-05-31

starting time : 04:42:50 UTC

creator : Aleksandra Vranic

label : AVC-722

id : 364941

Solvent : CDCl3

temperature : 298.0235 K

PULPROG : hsqcedetgpsisp2.3

number of scans : 4 scans

instrument : Avance NEO

Name : TopSpin

Data-Source Molecule ID Data-Source
27214764 surechembl
171467471 pubchem
The data in this table is sourced from UniChem at EBI.