Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C9H10O/c1-7-4-3-5-8(2)9(7)6-10/h3-6H,1-2H3
SMILES O=Cc1c(C)cccc1C
InChI Key QOJQBWSZHCKOLL-UHFFFAOYSA-N
Molecular Formula C9H10O
Exact Mass 134.175 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QOJQBWSZHCKOLL-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/QOJQBWSZHCKOLL-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-14
Related Molecule
  • 2,6-dimethylbenzaldehyde
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    title : CCP-3685

    date : 20231214

    starting time : 0.01 h

    label : CCP-3515

    id : 287603

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : hmbcgpndqf

    number of scans : 8 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    66979 surechembl
    583841 pubchem
    235947 brenda
    Molport-001-770-666 molport
    The data in this table is sourced from UniChem at EBI.