Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C7H4Cl2N2/c8-6-3-1-2-5(4-6)7(9)10-11-7/h1-4H
SMILES Clc1cccc(c1)C1(Cl)N=N1
InChI Key USTAQRLLPSCVOB-UHFFFAOYSA-N
Exact Mass 187.026 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/USTAQRLLPSCVOB-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/USTAQRLLPSCVOB-UHFFFAOYSA-N/CHMO0000599
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:44:37.809767
MetadataModified 2024-09-23T09:24:40.805286
MetadataPublished 2024-05-21
Field Value
Measurement Technique correlation spectroscopy
Measurement Variables
temperature : 298.0 K

PULPROG : cosygpppqf

number of scans : 1 scans

title : Mar07-2024

date : 20240307

starting time : 8.32 h

instrument : Avance NEO

label : KT-793

id : 298336

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
J2.790.806C Nikkaji
102300812 PubChem
The data in this table is sourced from UniChem at EBI.