Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)\n\n

Chemical Info

molecular Image
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

Metadata Information

Field Value
DOI 10.14272/PJKIQSQWULDNAG-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/PJKIQSQWULDNAG-UHFFFAOYSA-N/CHMO0000599
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:41:57.653269
MetadataModified 2024-09-23T09:24:29.551757
MetadataPublished 2024-05-21
Field Value
Measurement Technique correlation spectroscopy
Measurement Variables
temperature : 298.0 K

PULPROG : cosygpppqf

number of scans : 1 scans

title : Jan26-2024

date : 20240126

starting time : 13.42 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.