Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C9H8N2/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-6H,10H2
SMILES Nc1cccc2c1cncc2
InChI Key GUSYANXQYUJOBH-UHFFFAOYSA-N
Molecular Formula C9H8N2
Exact Mass 144.173 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GUSYANXQYUJOBH-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/GUSYANXQYUJOBH-UHFFFAOYSA-N/CHMO0001150
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:01:28.549971
MetadataModified 2025-02-04T11:37:38.032703
MetadataPublished 2024-09-06
Related Molecule
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
temperature : 300.0 K

PULPROG : cosygpppqf

number of scans : 1 scans

title : CCP-3701-2

date : 20240418

starting time : 15.51 h

instrument : spect

label : CCP-3531

id : 291914

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
CHEMBL384666 ChEMBL
J88.190B Nikkaji
DTXSID60552671 EPA CompTox Dashboard
2731124 eMolecules
SCHEMBL619775 SureChEMBL
13927912 PubChem
23687-27-6 ACToR
MCULE-5954479022 Mcule
ZINC000008698449 ZINC
The data in this table is sourced from UniChem at EBI.