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/C6H8N2/c7-5-6-1-3-8-4-2-6/h1-4H,5,7H2
SMILES NCc1ccncc1
InChI Key TXQWFIVRZNOPCK-UHFFFAOYSA-N
Molecular Formula C6H8N2
Exact Mass 108.141 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TXQWFIVRZNOPCK-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/TXQWFIVRZNOPCK-UHFFFAOYSA-N/CHMO0001150
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:23:45.430267
MetadataModified 2024-09-08T04:23:45.430272
MetadataPublished 2024-08-07
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1188378 ChEMBL
530964 eMolecules
77317 PubChem
14793688 PubChem: Thomson Pharma
3731-53-1 ACToR
SCHEMBL41000 SureChEMBL
J58.007D Nikkaji
20027610 NMRShiftDB
MCULE-8418049817 Mcule
ZINC000000158598 ZINC
DTXSID0063153 EPA CompTox Dashboard
220442 Brenda
NNW PDBe
6307 Brenda
110247 Brenda
50232687 BindingDB
CB6127561 ChemicalBook
The data in this table is sourced from UniChem at EBI.