Dataset

heteronuclear single quantum coherence (HSQC)

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

Chemical Info

molecular Image
InChI InChI=1S/C13H10N2/c1-2-6-11(7-3-1)12-10-15-9-5-4-8-13(15)14-12/h1-10H
SMILES c1ccc(cc1)c1nc2n(c1)cccc2
InChI Key KDHWCFCNNGUJCP-UHFFFAOYSA-N
Molecular Formula C13H10N2
Exact Mass 194.232 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KDHWCFCNNGUJCP-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/KDHWCFCNNGUJCP-UHFFFAOYSA-N/CHMO0000604
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:33:53.525717
MetadataModified 2024-09-08T00:33:23.493878
MetadataPublished 2023-03-03
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
201136 PubChem
4105-21-9 ACToR
16496475 PubChem: Thomson Pharma
SCHEMBL966793 SureChEMBL
J238.872C Nikkaji
HMDB0245292 Human Metabolome Database
NAGGEH CCDC
MCULE-7257813204 Mcule
CB8739319 ChemicalBook
50269841 BindingDB
DTXSID10276799 EPA CompTox Dashboard
ZINC000000122018 ZINC
CHEMBL1720835 ChEMBL
705051 eMolecules
The data in this table is sourced from UniChem at EBI.