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/c8-6-4-2-1-3-5(6)7(9)10-11-7/h1-4H
SMILES Brc1ccccc1C1(Cl)N=N1
InChI Key ZDAXVNIURHFTEV-UHFFFAOYSA-N
Exact Mass 231.477 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZDAXVNIURHFTEV-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ZDAXVNIURHFTEV-UHFFFAOYSA-N/CHMO0000595
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:43:54.530607
MetadataModified 2024-09-23T09:24:37.480534
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 : Mar01-2024

Date : 20240302

Start time : 3.15 h

Instrument : Avance NEO

Label : KT-779

ID : 297740

Solvent : chloroform-D1 (CDCl3)

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