Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H7ClN2O/c1-12-7-4-2-6(3-5-7)8(9)10-11-8/h2-5H,1H3
SMILES COc1ccc(cc1)C1(Cl)N=N1
InChI Key SXAZXNYWEPKNNS-UHFFFAOYSA-N
Exact Mass 182.607 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SXAZXNYWEPKNNS-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/SXAZXNYWEPKNNS-UHFFFAOYSA-N/CHMO0000599
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:40:43.221081
MetadataModified 2024-09-23T09:24:23.265458
MetadataPublished 2024-05-21
Field Value
Measurement Technique correlation spectroscopy
Measurement Variables
temperature : 298.0 K

PULPROG : cosygpppqf

number of scans : 1 scans

title : Feb19-2024

date : 20240219

starting time : 17.35 h

instrument : Avance NEO

label : KT-737

id : 296140

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
J574.211K Nikkaji
11665508 PubChem
16769201 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.