Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C7H4Cl2N2/c8-6-3-1-5(2-4-6)7(9)10-11-7/h1-4H
SMILES Clc1ccc(cc1)C1(Cl)N=N1
InChI Key RYYJJENVUDZMCO-UHFFFAOYSA-N
Exact Mass 187.026 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RYYJJENVUDZMCO-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/RYYJJENVUDZMCO-UHFFFAOYSA-N/CHMO0000593
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:40:02.265809
MetadataModified 2024-09-23T09:24:20.164434
MetadataPublished 2024-05-21
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
temperature : 298.0 K

PULPROG : zg30

number of scans : 16 scans

title : Mar06-2024

date : 20240306

starting time : 8.36 h

instrument : Avance NEO

label : KT-790

id : 298187

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
15899311 PubChem: Thomson Pharma
10856218 PubChem
J574.212I Nikkaji
The data in this table is sourced from UniChem at EBI.