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/C9H7BrN2/c1-6-9(10)12-8-5-3-2-4-7(8)11-6/h2-5H,1H3
SMILES Cc1nc2ccccc2nc1Br
InChI Key YBJFSDXUCGYJSK-UHFFFAOYSA-N
Molecular Formula C9H7BrN2
Exact Mass 223.069 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YBJFSDXUCGYJSK-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/YBJFSDXUCGYJSK-UHFFFAOYSA-N/CHMO0000593
Version
Author Victor Larignon
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:40:13.971906
MetadataModified 2024-09-07T19:56:03.753698
MetadataPublished 2021-06-04
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CB02735461 ChemicalBook
54594171 PubChem
36559079 eMolecules
ZINC000052099542 ZINC
The data in this table is sourced from UniChem at EBI.