Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C18H14IN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
SMILES Ic1ccc(cc1)N(c1ccccc1)c1ccccc1
InChI Key OWWVTWHBNAWUJO-UHFFFAOYSA-N
Exact Mass 371.215 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OWWVTWHBNAWUJO-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/OWWVTWHBNAWUJO-UHFFFAOYSA-N/CHMO0000601
Version
Author Jana Barylko
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 4-iodo-N,N-diphenylaniline
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    18615936 PubChem
    J3.192.893A Nikkaji
    DTXSID10595139 EPA CompTox Dashboard
    ZINC000059636932 ZINC
    CB82455668 ChemicalBook
    SCHEMBL4796747 SureChEMBL
    The data in this table is sourced from UniChem at EBI.