Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C7H4BrClN2/c8-6-3-1-2-5(4-6)7(9)10-11-7/h1-4H
SMILES Brc1cccc(c1)C1(Cl)N=N1
InChI Key BBNJBCHEPCEFRH-UHFFFAOYSA-N
Exact Mass 231.477 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BBNJBCHEPCEFRH-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/BBNJBCHEPCEFRH-UHFFFAOYSA-N/CHMO0000595
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:41:11.729435
MetadataModified 2024-09-23T09:24:26.072730
MetadataPublished 2024-05-21
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Temperature : 298.0 K K

Puls programme : zgpg30

Number of scans : 1024

Title : Feb22-2024

Date : 20240222

Start time : 23.42 h

Instrument : Avance NEO

Label : KT-749

ID : 296533

Solvent : CD3CN

Data-Source Molecule ID Data-Source
No additional information available for this Dataset.