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
Related Molecule
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-7257813204 Mcule
SCHEMBL966793 SureChEMBL
201136 PubChem
4105-21-9 ACToR
16496475 PubChem: Thomson Pharma
705051 eMolecules
CHEMBL1720835 ChEMBL
CB8739319 ChemicalBook
DTXSID10276799 EPA CompTox Dashboard
ZINC000000122018 ZINC
50269841 BindingDB
J238.872C Nikkaji
HMDB0245292 Human Metabolome Database
NAGGEH CCDC
The data in this table is sourced from UniChem at EBI.