Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C13H9ClN2/c14-13(15-16-13)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
SMILES ClC1(N=N1)c1ccc(cc1)c1ccccc1
InChI Key JVPAVUZKMXZLNV-UHFFFAOYSA-N
Exact Mass 228.677 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JVPAVUZKMXZLNV-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/JVPAVUZKMXZLNV-UHFFFAOYSA-N/CHMO0000599
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:43:11.460425
MetadataModified 2024-09-23T09:24:35.826523
MetadataPublished 2024-05-21
Field Value
Measurement Technique correlation spectroscopy
Measurement Variables
temperature : 298.0 K

PULPROG : cosygpppqf

number of scans : 1 scans

title : Feb29-2024

date : 20240229

starting time : 8.37 h

instrument : Avance NEO

label : KT-774

id : 297463

Solvent : CD2Cl2

Data-Source Molecule ID Data-Source
12022816 PubChem
J731.158C Nikkaji
The data in this table is sourced from UniChem at EBI.