Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C6H4ClN3/c7-6(9-10-6)5-3-1-2-4-8-5/h1-4H
SMILES	ClC1(N=N1)c1ccccn1
InChI Key	PJKIQSQWULDNAG-UHFFFAOYSA-N
Exact Mass	153.569 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PJKIQSQWULDNAG-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/PJKIQSQWULDNAG-UHFFFAOYSA-N/CHMO0000595
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:42:03.058895
MetadataModified	2024-09-23T09:24:28.992371
MetadataPublished	2024-05-21

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 298.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : Jan26-2024 Date : 20240127 Start time : 17.42 h Instrument : Avance NEO Label : KT-675 ID : 292436 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
10931645	PubChem
15983131	PubChem: Thomson Pharma
J2.687.756C	Nikkaji
SCHEMBL9631780	SureChEMBL
The data in this table is sourced from UniChem at EBI.