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/C8H4Br2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H
SMILES Brc1nc2ccccc2nc1Br
InChI Key VBZDMKSVSNFQSG-UHFFFAOYSA-N
Molecular Formula C8H4Br2N2
Exact Mass 287.939 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VBZDMKSVSNFQSG-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/VBZDMKSVSNFQSG-UHFFFAOYSA-N/CHMO0000593
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:57:27.510338
MetadataModified 2024-09-07T17:40:47.105197
MetadataPublished 2020-04-16
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL1128076 SureChEMBL
ZINC000032272224 ZINC
DTXSID10347771 EPA CompTox Dashboard
625637 PubChem
CB81568747 ChemicalBook
J591.326H Nikkaji
16146509 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.