Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H13ClN2/c1-12(2,3)10-11(13)15-9-7-5-4-6-8(9)14-10/h4-7H,1-3H3
SMILES Clc1nc2ccccc2nc1C(C)(C)C
InChI Key HCWOOULLNKJZHT-UHFFFAOYSA-N
Molecular Formula C12H13ClN2
Exact Mass 220.698 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HCWOOULLNKJZHT-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/HCWOOULLNKJZHT-UHFFFAOYSA-N/CHMO0000595
Version
Author Victor Larignon
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-11-02
Related Molecule
  • 2-tert-butyl-3-chloroquinoxaline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL9089798 SureChEMBL
    12231787 PubChem
    J1.428.448F Nikkaji
    The data in this table is sourced from UniChem at EBI.