Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)\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/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/KDHWCFCNNGUJCP-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:34:06.518386
MetadataModified 2024-09-08T00:33:35.743918
MetadataPublished 2023-03-03
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
201136 PubChem
MCULE-7257813204 Mcule
SCHEMBL966793 SureChEMBL
705051 eMolecules
16496475 PubChem: Thomson Pharma
4105-21-9 ACToR
ZINC000000122018 ZINC
J238.872C Nikkaji
HMDB0245292 Human Metabolome Database
NAGGEH CCDC
50269841 BindingDB
CB8739319 ChemicalBook
DTXSID10276799 EPA CompTox Dashboard
CHEMBL1720835 ChEMBL
The data in this table is sourced from UniChem at EBI.