Dataset

heteronuclear single quantum coherence (HSQC)

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

Chemical Info

molecular Image
InChI InChI=1S/C14H11FN2/c1-10-3-2-8-17-9-13(16-14(10)17)11-4-6-12(15)7-5-11/h2-9H,1H3
SMILES Fc1ccc(cc1)c1cn2c(n1)c(C)ccc2
InChI Key UDBRHPCMIXCPEW-UHFFFAOYSA-N
Molecular Formula C14H11FN2
Exact Mass 226.249 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UDBRHPCMIXCPEW-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/UDBRHPCMIXCPEW-UHFFFAOYSA-N/CHMO0000604
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:35:17.663280
MetadataModified 2024-09-08T00:35:17.663358
MetadataPublished 2023-03-03
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
1427322 eMolecules
CHEMBL1433343 ChEMBL
DTXSID60355548 EPA CompTox Dashboard
49348 BindingDB
ZINC000000314971 ZINC
MCULE-8806148202 Mcule
50088139 PubChem: Thomson Pharma
805501 PubChem
SCHEMBL4728827 SureChEMBL
The data in this table is sourced from UniChem at EBI.