13C nuclear magnetic resonance spectroscopy (13C NMR)

Repository

Chemotion - Repository

The Chemotion - Repository covers research data assigned to molecules, their properties and characterization, as well as reactions and experimental investigations. It is hosted...

License

No License Provided

Export

DCAT-AP(rdf/xml) DCAT-AP(ttl) DCAT-AP(jsonld) DCAT-AP-PLUS(xml) DCAT-AP-PLUS(tll) DCAT-AP-PLUS(jsonld)

Schema.Org(rdf/xml) Schema.Org(xml) Schema.Org(ttl) Schema.Org(jsonld)

Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image

InChI	InChI=1S/C15H9Cl2N3/c16-14-8-2-6-12(19-14)10-4-1-5-11(18-10)13-7-3-9-15(17)20-13/h1-9H
SMILES	Clc1cccc(n1)c1cccc(n1)c1cccc(n1)Cl
InChI Key	QNEVWLHKZQMPRM-UHFFFAOYSA-N
Exact Mass	302.158 g/mol

Data and Resources

13C nuclear magnetic resonance spectroscopy (13C NMR)HTML

Go to source

Metadata Information

Field	Value
DOI	10.14272/QNEVWLHKZQMPRM-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/QNEVWLHKZQMPRM-UHFFFAOYSA-N/CHMO0000595
Version
Author	Fabian Schönle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-08-24
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
J3.047.482A	Nikkaji
101564706	PubChem
The data in this table is sourced from UniChem at EBI.