Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H7Cl2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H
SMILES Clc1ccc2c(c1)c1cc(Cl)ccc1[nH]2
InChI Key BIMDTNQPZWJKPL-UHFFFAOYSA-N
Molecular Formula C12H7Cl2N
Exact Mass 236.097 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BIMDTNQPZWJKPL-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/BIMDTNQPZWJKPL-UHFFFAOYSA-N/CHMO0000595
Version
Author Victor Larignon
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-12-25
Related Molecule
  • 3,6-dichloro-9H-carbazole
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL5090876 chembl
    29453525 surechembl
    607827 surechembl
    236487 pubchem
    BABCIU CCDC
    Molport-001-770-586 molport
    The data in this table is sourced from UniChem at EBI.