Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

InChI	InChI=1S/C8H4Cl2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H
SMILES	Clc1nc2ccccc2nc1Cl
InChI Key	SPSSDDOTEZKOOV-UHFFFAOYSA-N
Molecular Formula	C8H4Cl2N2
Exact Mass	199.037 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/SPSSDDOTEZKOOV-UHFFFAOYSA-N/CHMO0000593.5
License URL
Source	https://www.chemotion-repository.net/inchikey/SPSSDDOTEZKOOV-UHFFFAOYSA-N/CHMO0000593.5
Version
Author	Jana Barylko
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-10-09
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	date : 2025-09-30 starting time : 12:01:51 UTC creator : Jana Barylko label : CCP-3062 id : 231267 Solvent : DMSO temperature : 297.997402150777 K PULPROG : zg30 number of scans : 16 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
CHEMBL445957	chembl
116696	surechembl
29451077	surechembl
16659	pubchem
3V2TXX4YAZ	fdasrs
EGOSOK	CCDC
DTXSID1025013	comptox
Molport-000-732-764	molport
The data in this table is sourced from UniChem at EBI.