Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C7H4ClFN2/c8-7(10-11-7)5-1-3-6(9)4-2-5/h1-4H
SMILES	ClC1(N=N1)c1ccc(cc1)F
InChI Key	FLYYZEZHBLZQCJ-UHFFFAOYSA-N
Exact Mass	170.571 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/FLYYZEZHBLZQCJ-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/FLYYZEZHBLZQCJ-UHFFFAOYSA-N/CHMO0000593
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:45:12.227663
MetadataModified	2024-09-23T09:24:43.193663
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 : Feb09-2024 date : 20240209 starting time : 13.05 h instrument : Avance NEO label : KT-707 id : 294427 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
21723953	PubChem
The data in this table is sourced from UniChem at EBI.