Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C13H8ClFN2/c14-10-5-3-7-17-8-12(16-13(10)17)9-4-1-2-6-11(9)15/h1-8H
SMILES Fc1ccccc1c1cn2c(n1)c(Cl)ccc2
InChI Key RITJJKBOMYWBLG-UHFFFAOYSA-N
Molecular Formula C13H8ClFN2
Exact Mass 246.667 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RITJJKBOMYWBLG-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/RITJJKBOMYWBLG-UHFFFAOYSA-N/CHMO0000604
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:45:23.895607
MetadataModified 2024-09-08T00:45:23.895612
MetadataPublished 2023-03-03
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000258028036 ZINC
117137662 PubChem
The data in this table is sourced from UniChem at EBI.