Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C12H11NO/c1-14-11-7-5-10(6-8-11)12-4-2-3-9-13-12/h2-9H,1H3
SMILES COc1ccc(cc1)c1ccccn1
InChI Key QUMXRZNAUFKBAS-UHFFFAOYSA-N
Molecular Formula C12H11NO
Exact Mass 185.222 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QUMXRZNAUFKBAS-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/QUMXRZNAUFKBAS-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-01-19
Related Molecule
  • 2-(4-methoxyphenyl)pyridine
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL913393 SureChEMBL
    CHEMBL2220852 ChEMBL
    813530 eMolecules
    16325075 PubChem: Thomson Pharma
    ZINC000000399937 ZINC
    CB3485804 ChemicalBook
    J796.113H Nikkaji
    MCULE-2328553499 Mcule
    220239 PubChem
    The data in this table is sourced from UniChem at EBI.