Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C9H6N2O/c12-6-7-5-10-8-3-1-2-4-9(8)11-7/h1-6H
SMILES O=Cc1cnc2c(n1)cccc2
InChI Key UJEHWLFUEQHEEZ-UHFFFAOYSA-N
Molecular Formula C9H6N2O
Exact Mass 158.157 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UJEHWLFUEQHEEZ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/UJEHWLFUEQHEEZ-UHFFFAOYSA-N/CHMO0000593
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:17:20.044334
MetadataModified 2024-09-07T20:43:54.219037
MetadataPublished 2021-12-09
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
1593-08-4 ACToR
CB5740969 ChemicalBook
DTXSID50344042 EPA CompTox Dashboard
SCHEMBL97699 SureChEMBL
16544937 PubChem: Thomson Pharma
724662 eMolecules
J1.878.872A Nikkaji
VOBMOR CCDC
ZINC000000241385 ZINC
MCULE-2987536076 Mcule
594088 PubChem
The data in this table is sourced from UniChem at EBI.