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/C6H5NO/c8-5-6-3-1-2-4-7-6/h1-5H
SMILES O=Cc1ccccn1
InChI Key CSDSSGBPEUDDEE-UHFFFAOYSA-N
Molecular Formula C6H5NO
Exact Mass 107.110 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CSDSSGBPEUDDEE-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/CSDSSGBPEUDDEE-UHFFFAOYSA-N/CHMO0001148
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-22
Related Molecule
  • pyridine-2-carbaldehyde
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:73012 chebi
    CHEMBL274794 chembl
    1481683 surechembl
    29396810 surechembl
    55278 surechembl
    14273 pubchem
    KH86K8FHZ2 fdasrs
    124200 brenda
    145255 brenda
    148928 brenda
    174038 brenda
    30369 brenda
    30571 brenda
    34463 brenda
    34544 brenda
    58055 brenda
    7490 brenda
    98200 brenda
    HMDB0245308 hmdb
    Molport-000-871-204 molport
    The data in this table is sourced from UniChem at EBI.