Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C7H4ClN3O2/c8-7(9-10-7)5-1-3-6(4-2-5)11(12)13/h1-4H
SMILES	[O-][N+](=O)c1ccc(cc1)C1(Cl)N=N1
InChI Key	CROBFZCEBLSPFK-UHFFFAOYSA-N
Exact Mass	197.579 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.14272/CROBFZCEBLSPFK-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/CROBFZCEBLSPFK-UHFFFAOYSA-N/CHMO0000593
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:44:15.236209
MetadataModified	2024-09-23T09:24:37.753643
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 : Mar01-2024 date : 20240301 starting time : 14.28 h instrument : Avance NEO label : KT-754 id : 296693 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
13598791	PubChem
The data in this table is sourced from UniChem at EBI.