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
Related Molecule
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1188378 ChEMBL
DTXSID0063153 EPA CompTox Dashboard
J58.007D Nikkaji
ZINC000000158598 ZINC
50232687 BindingDB
NNW PDBe
77317 PubChem
14793688 PubChem: Thomson Pharma
3731-53-1 ACToR
SCHEMBL41000 SureChEMBL
530964 eMolecules
6307 Brenda
220442 Brenda
CB6127561 ChemicalBook
110247 Brenda
20027610 NMRShiftDB
MCULE-8418049817 Mcule
The data in this table is sourced from UniChem at EBI.