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/C13H9ClN2/c14-13(15-16-13)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
SMILES ClC1(N=N1)c1ccc(cc1)c1ccccc1
InChI Key JVPAVUZKMXZLNV-UHFFFAOYSA-N
Exact Mass 228.677 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JVPAVUZKMXZLNV-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/JVPAVUZKMXZLNV-UHFFFAOYSA-N/CHMO0000595
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:42:54.004039
MetadataModified 2024-09-23T09:24:34.204070
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 : Feb29-2024

Date : 20240301

Start time : 1.20 h

Instrument : Avance NEO

Label : KT-774

ID : 297463

Solvent : CD2Cl2

Data-Source Molecule ID Data-Source
12022816 PubChem
J731.158C Nikkaji
The data in this table is sourced from UniChem at EBI.