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/C6H4ClN3/c7-6(9-10-6)5-2-1-3-8-4-5/h1-4H
SMILES ClC1(N=N1)c1cccnc1
InChI Key WODWTZPLHOCIRG-UHFFFAOYSA-N
Exact Mass 153.569 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WODWTZPLHOCIRG-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/WODWTZPLHOCIRG-UHFFFAOYSA-N/CHMO0000593
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:41:29.864556
MetadataModified 2024-09-23T09:24:26.913263
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 : Jan23-2024

date : 20240123

starting time : 13.24 h

instrument : Avance NEO

label : KT-671

id : 291713

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
J315.105K Nikkaji
SCHEMBL9631612 SureChEMBL
14590724 PubChem
The data in this table is sourced from UniChem at EBI.