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/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3
SMILES CC(=O)c1ccccc1O
InChI Key JECYUBVRTQDVAT-UHFFFAOYSA-N
Molecular Formula C8H8O2
Exact Mass 136.148 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JECYUBVRTQDVAT-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/JECYUBVRTQDVAT-UHFFFAOYSA-N/CHMO0001148
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • 1-(2-hydroxyphenyl)ethanone
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    title : GH_118-93-4_CDCl3_full

    date : 20240620

    starting time : 2.12 h

    label : GEH-23

    id : 118075

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : hmbcetgpl3nd

    number of scans : 4 scans

    instrument : AVIII300

    Data-Source Molecule ID Data-Source
    CHEBI:145716 chebi
    CHEMBL3187012 chembl
    30293783 surechembl
    40865 surechembl
    8375 pubchem
    3E533Z76W0 fdasrs
    PD087971 probes_and_drugs
    75842 brenda
    HMDB0032568 hmdb
    Molport-000-871-232 molport
    50140214 bindingdb
    The data in this table is sourced from UniChem at EBI.