Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C25H30/c1-3-5-22-23(6-4-2)25(22)24-17-20-12-11-18-7-9-19(10-8-18)13-15-21(24)16-14-20/h7-10,14,16-17,25H,3-6,11-13,15H2,1-2H3
SMILES CCCC1=C(C1c1cc2ccc1CCc1ccc(CC2)cc1)CCC
InChI Key QPGWYAYYZXDARJ-UHFFFAOYSA-N
Exact Mass 330.506 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QPGWYAYYZXDARJ-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/QPGWYAYYZXDARJ-UHFFFAOYSA-N/CHMO0000601
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-01-20
Related Molecule
  • nfdi4chem-mol2561 (Unknown Molecule)
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    title : Oct28-2024

    date : 20241029

    starting time : 7.06 h

    label : KT-1140

    id : 327566

    Solvent : CD2Cl2

    temperature : 298.0 K

    PULPROG : hmbcgplpndqf

    number of scans : 4 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.