Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C14H7ClF4N2/c15-11-5-9(14(17,18)19)6-21-7-12(20-13(11)21)8-1-3-10(16)4-2-8/h1-7H
SMILES	Fc1ccc(cc1)c1cn2c(n1)c(Cl)cc(c2)C(F)(F)F
InChI Key	LHUTUFIEQFAVFB-UHFFFAOYSA-N
Molecular Formula	C14H7ClF4N2
Exact Mass	314.665 g/mol

Data and Resources

• heteronuclear single quantum coherence (HSQC)HTML
  Explore

  • More information
  • Go to resource

• heteronuclear-singl...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LHUTUFIEQFAVFB-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/LHUTUFIEQFAVFB-UHFFFAOYSA-N/CHMO0000604
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:39:42.317572
MetadataModified	2024-09-08T00:39:42.317577
MetadataPublished	2023-03-03

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL1462462	ChEMBL
4910540	eMolecules
MCULE-7080898308	Mcule
1485610	PubChem
49517	BindingDB
ZINC000001399532	ZINC
The data in this table is sourced from UniChem at EBI.