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/C10H10N2/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h3-6H,1-2H3
SMILES Cc1nc2ccccc2nc1C
InChI Key FKHNZQFCDGOQGV-UHFFFAOYSA-N
Molecular Formula C10H10N2
Exact Mass 158.200 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FKHNZQFCDGOQGV-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/FKHNZQFCDGOQGV-UHFFFAOYSA-N/CHMO0000593
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:54:37.291771
MetadataModified 2024-09-07T17:36:57.843334
MetadataPublished 2020-04-12
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL67865 ChEMBL
132810 ChEBI
DTXSID4062355 EPA CompTox Dashboard
J3.709E Nikkaji
KEYNOR CCDC
ZINC000000061492 ZINC
CB6342560 ChemicalBook
16925 PubChem
16044533 PubChem: Thomson Pharma
2379-55-7 ACToR
537078 eMolecules
30095498 NMRShiftDB
MCULE-5438909845 Mcule
SCHEMBL103601 SureChEMBL
4K2NH2OBE9 FDA SRS
The data in this table is sourced from UniChem at EBI.