Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C7H4BrClN2/c8-6-3-1-5(2-4-6)7(9)10-11-7/h1-4H
SMILES	ClC1(N=N1)c1ccc(cc1)Br
InChI Key	RULCXVAUZIXNGP-UHFFFAOYSA-N
Exact Mass	231.477 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
  Explore

  • More information
  • Go to resource

• 1h-nuclear-magnetic...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RULCXVAUZIXNGP-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/RULCXVAUZIXNGP-UHFFFAOYSA-N/CHMO0000593
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:42:41.267665
MetadataModified	2024-09-23T09:24:33.119708
MetadataPublished	2024-05-21

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : Feb02-2024 date : 20240202 starting time : 17.25 h instrument : Avance NEO label : KT-697 id : 293781 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
21723954	PubChem
The data in this table is sourced from UniChem at EBI.