Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C13H13N/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H,10,14H2
SMILES NCc1cccc(c1)c1ccccc1
InChI Key WKHABRRJMGVELW-UHFFFAOYSA-N
Molecular Formula C13H13N
Exact Mass 183.249 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WKHABRRJMGVELW-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/WKHABRRJMGVELW-UHFFFAOYSA-N/CHMO0001146
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-15
Related Molecule
  • (3-phenylphenyl)methanamine
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2760368 PubChem
    177976-49-7 ACToR
    1976128 eMolecules
    SCHEMBL43554 SureChEMBL
    ZINC000002562430 ZINC
    CB1191626 ChemicalBook
    J2.283.183F Nikkaji
    DTXSID70375136 EPA CompTox Dashboard
    MCULE-8782625424 Mcule
    50331395 BindingDB
    CHEMBL4162063 ChEMBL
    The data in this table is sourced from UniChem at EBI.