Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3
SMILES NCc1ccc(cc1)OC
InChI Key IDPURXSQCKYKIJ-UHFFFAOYSA-N
Molecular Formula C8H11NO
Exact Mass 137.179 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IDPURXSQCKYKIJ-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/IDPURXSQCKYKIJ-UHFFFAOYSA-N/CHMO0001148
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-09
Related Molecule
  • (4-methoxyphenyl)methanamine
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:49837 chebi
    PZM rcsb_pdb
    CHEMBL12720 chembl
    8755 surechembl
    75452 pubchem
    2M6QLM4NWE fdasrs
    15412 brenda
    62257 brenda
    Molport-000-139-922 molport
    50408784 bindingdb
    The data in this table is sourced from UniChem at EBI.